6-ethenylpyridine-3-carboxylic acid;2-(6-ethenyl-3-pyridinyl)acetic acid;(6-ethenyl-3-pyridinyl)methanamine;2-[2-[(6-ethenyl-3-pyridinyl)methylamino]-2-oxoethoxy]acetic acid;3-(6-ethenyl-3-pyridinyl)propanoic acid;2-ethenyl-5-(trifluoromethyl)pyridine-4-carboxylic acid;6-ethenyl-4-(trifluoromethyl)pyridine-3-carboxylic acid

C65H63F6N9O14 — CID 161267007

IUPAC6-ethenylpyridine-3-carboxylic acid;2-(6-ethenyl-3-pyridinyl)acetic acid;(6-ethenyl-3-pyridinyl)methanamine;2-[2-[(6-ethenyl-3-pyridinyl)methylamino]-2-oxoethoxy]acetic acid;3-(6-ethenyl-3-pyridinyl)propanoic acid;2-ethenyl-5-(trifluoromethyl)pyridine-4-carboxylic acid;6-ethenyl-4-(trifluoromethyl)pyridine-3-carboxylic acid
SMILESC=Cc1cc(C(=O)O)c(C(F)(F)F)cn1.C=Cc1cc(C(F)(F)F)c(C(=O)O)cn1.C=Cc1ccc(C(=O)O)cn1.C=Cc1ccc(CC(=O)O)cn1.C=Cc1ccc(CCC(=O)O)cn1.C=Cc1ccc(CN)cn1.C=Cc1ccc(CNC(=O)COCC(=O)O)cn1
InChIInChI=1S/C12H14N2O4.C10H11NO2.2C9H6F3NO2.C9H9NO2.C8H10N2.C8H7NO2/c1-2-10-4-3-9(5-13-10)6-14-11(15)7-18-8-12(16)17;1-2-9-5-3-8(7-11-9)4-6-10(12)13;1-2-5-3-7(9(10,11)12)6(4-13-5)8(14)15;1-2-5-3-6(8(14)15)7(4-13-5)9(10,11)12;1-2-8-4-3-7(6-10-8)5-9(11)12;1-2-8-4-3-7(5-9)6-10-8;1-2-7-4-3-6(5-9-7)8(10)11/h2-5H,1,6-8H2,(H,14,15)(H,16,17);2-3,5,7H,1,4,6H2,(H,12,13);2*2-4H,1H2,(H,14,15);2-4,6H,1,5H2,(H,11,12);2-4,6H,1,5,9H2;2-5H,1H2,(H,10,11)
InChIKeyVDHWVCHLKJMZAN-UHFFFAOYSA-N
MW1308.26 g/mol
LogP11.02
Rot. Bonds22

About 6-ethenylpyridine-3-carboxylic acid;2-(6-ethenyl-3-pyridinyl)acetic acid;(6-ethenyl-3-pyridinyl)methanamine;2-[2-[(6-ethenyl-3-pyridinyl)methylamino]-2-oxoethoxy]acetic acid;3-(6-ethenyl-3-pyridinyl)propanoic acid;2-ethenyl-5-(trifluoromethyl)pyridine-4-carboxylic acid;6-ethenyl-4-(trifluoromethyl)pyridine-3-carboxylic acid

6-ethenylpyridine-3-carboxylic acid;2-(6-ethenyl-3-pyridinyl)acetic acid;(6-ethenyl-3-pyridinyl)methanamine;2-[2-[(6-ethenyl-3-pyridinyl)methylamino]-2-oxoethoxy]acetic acid;3-(6-ethenyl-3-pyridinyl)propanoic acid;2-ethenyl-5-(trifluoromethyl)pyridine-4-carboxylic acid;6-ethenyl-4-(trifluoromethyl)pyridine-3-carboxylic acid (PubChem CID 161267007) has the molecular formula C65H63F6N9O14 and a molecular weight of 1308.26 g/mol. Its IUPAC name is 6-ethenylpyridine-3-carboxylic acid;2-(6-ethenyl-3-pyridinyl)acetic acid;(6-ethenyl-3-pyridinyl)methanamine;2-[2-[(6-ethenyl-3-pyridinyl)methylamino]-2-oxoethoxy]acetic acid;3-(6-ethenyl-3-pyridinyl)propanoic acid;2-ethenyl-5-(trifluoromethyl)pyridine-4-carboxylic acid;6-ethenyl-4-(trifluoromethyl)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-ethenylpyridine-3-carboxylic acid;2-(6-ethenyl-3-pyridinyl)acetic acid;(6-ethenyl-3-pyridinyl)methanamine;2-[2-[(6-ethenyl-3-pyridinyl)methylamino]-2-oxoethoxy]acetic acid;3-(6-ethenyl-3-pyridinyl)propanoic acid;2-ethenyl-5-(trifluoromethyl)pyridine-4-carboxylic acid;6-ethenyl-4-(trifluoromethyl)pyridine-3-carboxylic acid
PubChem CID161267007
Molecular FormulaC65H63F6N9O14
Molecular Weight1308.26 g/mol
Exact Mass1307.44
IUPAC Name6-ethenylpyridine-3-carboxylic acid;2-(6-ethenyl-3-pyridinyl)acetic acid;(6-ethenyl-3-pyridinyl)methanamine;2-[2-[(6-ethenyl-3-pyridinyl)methylamino]-2-oxoethoxy]acetic acid;3-(6-ethenyl-3-pyridinyl)propanoic acid;2-ethenyl-5-(trifluoromethyl)pyridine-4-carboxylic acid;6-ethenyl-4-(trifluoromethyl)pyridine-3-carboxylic acid
SMILESC=Cc1cc(C(=O)O)c(C(F)(F)F)cn1.C=Cc1cc(C(F)(F)F)c(C(=O)O)cn1.C=Cc1ccc(C(=O)O)cn1.C=Cc1ccc(CC(=O)O)cn1.C=Cc1ccc(CCC(=O)O)cn1.C=Cc1ccc(CN)cn1.C=Cc1ccc(CNC(=O)COCC(=O)O)cn1
InChIInChI=1S/C12H14N2O4.C10H11NO2.2C9H6F3NO2.C9H9NO2.C8H10N2.C8H7NO2/c1-2-10-4-3-9(5-13-10)6-14-11(15)7-18-8-12(16)17;1-2-9-5-3-8(7-11-9)4-6-10(12)13;1-2-5-3-7(9(10,11)12)6(4-13-5)8(14)15;1-2-5-3-6(8(14)15)7(4-13-5)9(10,11)12;1-2-8-4-3-7(6-10-8)5-9(11)12;1-2-8-4-3-7(5-9)6-10-8;1-2-7-4-3-6(5-9-7)8(10)11/h2-5H,1,6-8H2,(H,14,15)(H,16,17);2-3,5,7H,1,4,6H2,(H,12,13);2*2-4H,1H2,(H,14,15);2-4,6H,1,5H2,(H,11,12);2-4,6H,1,5,9H2;2-5H,1H2,(H,10,11)
InChIKeyVDHWVCHLKJMZAN-UHFFFAOYSA-N
XLogP11.02
TPSA378.38 Ų
H-Bond Donors8
H-Bond Acceptors16
Rotatable Bonds22
Heavy Atoms94
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001308.26
LogP ≤ 511.02
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1016

Analyze 6-ethenylpyridine-3-carboxylic acid;2-(6-ethenyl-3-pyridinyl)acetic acid;(6-ethenyl-3-pyridinyl)methanamine;2-[2-[(6-ethenyl-3-pyridinyl)methylamino]-2-oxoethoxy]acetic acid;3-(6-ethenyl-3-pyridinyl)propanoic acid;2-ethenyl-5-(trifluoromethyl)pyridine-4-carboxylic acid;6-ethenyl-4-(trifluoromethyl)pyridine-3-carboxylic acid with MolForge

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Related Compounds

[(3R)-1-[3-(pyridine-3-carbonylamino)propyl]-1-azoniabicyclo[2.2.2]octan-3-yl] 2-hydroxy-2,2-diphenylacetate;2,2,2-trifluoroacetate
CID 67496144
[(3R)-1-[3-[(2-methylpyridine-3-carbonyl)amino]propyl]-1-azoniabicyclo[2.2.2]octan-3-yl] 2-hydroxy-2,2-diphenylacetate;2,2,2-trifluoroacetate
CID 67496153
[(3R)-1-[2-(pyridine-3-carbonylamino)ethyl]-1-azoniabicyclo[2.2.2]octan-3-yl] 2-hydroxy-2,2-diphenylacetate;2,2,2-trifluoroacetate
CID 68803720
5-(3-morpholin-4-ylprop-1-ynyl)-6-phenylpyridine-3-carboxylic acid;5-(3-morpholin-4-ylprop-1-ynyl)-6-phenyl-N-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide;3-(trifluoromethyl)aniline
CID 158943923
methane;6-pyrazin-2-ylpyridine-3-carboxylic acid;6-pyrazin-2-yl-N-[[6-[2-(trifluoromethyl)-4-pyridinyl]-3-pyridinyl]methyl]pyridine-3-carboxamide;[6-[2-(trifluoromethyl)-4-pyridinyl]-3-pyridinyl]methanamine
CID 159136642
Ethyl 2-(4-fluorophenyl)-6-(trifluoromethyl)pyridine-3-carboxylate;ethyl 2-pyridin-2-yl-6-(trifluoromethyl)pyridine-3-carboxylate;2-(4-fluorophenyl)-6-(trifluoromethyl)pyridine-3-carboxylic acid;methyl 2-(4-fluorophenyl)-6-(trifluoromethyl)pyridine-3-carboxylate;methyl 2-phenyl-6-(trifluoromethyl)pyridine-3-carboxylate;methyl 2-pyridin-2-yl-6-(trifluoromethyl)pyridine-3-carboxylate;2-phenyl-6-(trifluoromethyl)pyridine-3-carboxylic acid
CID 159227653
2-(Acetamidomethyl)pyridine-4-carboxylic acid;6-(acetamidomethyl)pyridine-3-carboxylic acid;bis(acetyl 2,2,2-trifluoroacetate);2-(aminomethyl)pyridine-4-carboxylic acid;6-(aminomethyl)pyridine-3-carboxylic acid;2-isocyanopyridine-4-carboxylic acid;6-isocyanopyridine-3-carboxylic acid;methanol
CID 160927913
6-ethenyl-N-methylpyridine-3-carboxamide;2-ethenyl-N-methyl-5-(trifluoromethyl)pyridine-4-carboxamide;6-ethenyl-N-methyl-4-(trifluoromethyl)pyridine-3-carboxamide;1-(6-ethenyl-3-pyridinyl)butan-2-one;N-[(6-ethenyl-3-pyridinyl)methyl]acetamide;2-[2-[(6-ethenyl-3-pyridinyl)methylamino]-2-oxoethoxy]-N-methylacetamide;3-(6-ethenyl-3-pyridinyl)-N-methylpropanamide;N-[[2-ethenyl-5-(trifluoromethyl)-4-pyridinyl]methyl]acetamide
CID 160992628
(2S)-2-amino-2-[6-(trifluoromethyl)-3-pyridinyl]ethanol;(2S)-2-azido-2-[6-(trifluoromethyl)-3-pyridinyl]ethanol;5-ethenyl-2-(trifluoromethyl)pyridine;5-[(2R)-oxiran-2-yl]-2-(trifluoromethyl)pyridine;6-(trifluoromethyl)pyridine-3-carbaldehyde;(1R)-1-[6-(trifluoromethyl)-3-pyridinyl]ethane-1,2-diol;(1S)-1-[6-(trifluoromethyl)-3-pyridinyl]propan-1-ol
CID 161303856
Methane;4-(pyridin-2-ylmethyl)piperidine-4-carbonitrile;4-(pyridin-2-ylmethyl)-1-(2-pyridin-4-ylpyridine-3-carbonyl)piperidine-4-carbonitrile;2-pyridin-4-ylpyridine-3-carboxylic acid;2,2,2-trifluoroacetic acid
CID 167561485
Methane;4-(2-phenylethyl)piperidine-4-carbonitrile;4-(2-phenylethyl)-1-(2-pyridin-4-ylpyridine-3-carbonyl)piperidine-4-carbonitrile;2-pyridin-4-ylpyridine-3-carboxylic acid;2,2,2-trifluoroacetic acid
CID 167587599
Methane;4-(4-phenylbutyl)piperidine-4-carbonitrile;4-(4-phenylbutyl)-1-(2-pyridin-4-ylpyridine-3-carbonyl)piperidine-4-carbonitrile;2-pyridin-4-ylpyridine-3-carboxylic acid;2,2,2-trifluoroacetic acid
CID 167634458

Frequently Asked Questions

What is the IUPAC name of 6-ethenylpyridine-3-carboxylic acid;2-(6-ethenyl-3-pyridinyl)acetic acid;(6-ethenyl-3-pyridinyl)methanamine;2-[2-[(6-ethenyl-3-pyridinyl)methylamino]-2-oxoethoxy]acetic acid;3-(6-ethenyl-3-pyridinyl)propanoic acid;2-ethenyl-5-(trifluoromethyl)pyridine-4-carboxylic acid;6-ethenyl-4-(trifluoromethyl)pyridine-3-carboxylic acid?
The IUPAC name of 6-ethenylpyridine-3-carboxylic acid;2-(6-ethenyl-3-pyridinyl)acetic acid;(6-ethenyl-3-pyridinyl)methanamine;2-[2-[(6-ethenyl-3-pyridinyl)methylamino]-2-oxoethoxy]acetic acid;3-(6-ethenyl-3-pyridinyl)propanoic acid;2-ethenyl-5-(trifluoromethyl)pyridine-4-carboxylic acid;6-ethenyl-4-(trifluoromethyl)pyridine-3-carboxylic acid (CID 161267007) is 6-ethenylpyridine-3-carboxylic acid;2-(6-ethenyl-3-pyridinyl)acetic acid;(6-ethenyl-3-pyridinyl)methanamine;2-[2-[(6-ethenyl-3-pyridinyl)methylamino]-2-oxoethoxy]acetic acid;3-(6-ethenyl-3-pyridinyl)propanoic acid;2-ethenyl-5-(trifluoromethyl)pyridine-4-carboxylic acid;6-ethenyl-4-(trifluoromethyl)pyridine-3-carboxylic acid.
What is the SMILES notation for 6-ethenylpyridine-3-carboxylic acid;2-(6-ethenyl-3-pyridinyl)acetic acid;(6-ethenyl-3-pyridinyl)methanamine;2-[2-[(6-ethenyl-3-pyridinyl)methylamino]-2-oxoethoxy]acetic acid;3-(6-ethenyl-3-pyridinyl)propanoic acid;2-ethenyl-5-(trifluoromethyl)pyridine-4-carboxylic acid;6-ethenyl-4-(trifluoromethyl)pyridine-3-carboxylic acid?
The canonical SMILES for 6-ethenylpyridine-3-carboxylic acid;2-(6-ethenyl-3-pyridinyl)acetic acid;(6-ethenyl-3-pyridinyl)methanamine;2-[2-[(6-ethenyl-3-pyridinyl)methylamino]-2-oxoethoxy]acetic acid;3-(6-ethenyl-3-pyridinyl)propanoic acid;2-ethenyl-5-(trifluoromethyl)pyridine-4-carboxylic acid;6-ethenyl-4-(trifluoromethyl)pyridine-3-carboxylic acid is C=Cc1cc(C(=O)O)c(C(F)(F)F)cn1.C=Cc1cc(C(F)(F)F)c(C(=O)O)cn1.C=Cc1ccc(C(=O)O)cn1.C=Cc1ccc(CC(=O)O)cn1.C=Cc1ccc(CCC(=O)O)cn1.C=Cc1ccc(CN)cn1.C=Cc1ccc(CNC(=O)COCC(=O)O)cn1.
What is the InChIKey of 6-ethenylpyridine-3-carboxylic acid;2-(6-ethenyl-3-pyridinyl)acetic acid;(6-ethenyl-3-pyridinyl)methanamine;2-[2-[(6-ethenyl-3-pyridinyl)methylamino]-2-oxoethoxy]acetic acid;3-(6-ethenyl-3-pyridinyl)propanoic acid;2-ethenyl-5-(trifluoromethyl)pyridine-4-carboxylic acid;6-ethenyl-4-(trifluoromethyl)pyridine-3-carboxylic acid?
The InChIKey is VDHWVCHLKJMZAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O4.C10H11NO2.2C9H6F3NO2.C9H9NO2.C8H10N2.C8H7NO2/c1-2-10-4-3-9(5-13-10)6-14-11(15)7-18-8-12(16)17;1-2-9-5-3-8(7-11-9)4-6-10(12)13;1-2-5-3-7(9(10,11)12)6(4-13-5)8(14)15;1-2-5-3-6(8(14)15)7(4-13-5)9(10,11)12;1-2-8-4-3-7(6-10-8)5-9(11)12;1-2-8-4-3-7(5-9)6-10-8;1-2-7-4-3-6(5-9-7)8(10)11/h2-5H,1,6-8H2,(H,14,15)(H,16,17);2-3,5,7H,1,4,6H2,(H,12,13);2*2-4H,1H2,(H,14,15);2-4,6H,1,5H2,(H,11,12);2-4,6H,1,5,9H2;2-5H,1H2,(H,10,11).
What are the key properties of 6-ethenylpyridine-3-carboxylic acid;2-(6-ethenyl-3-pyridinyl)acetic acid;(6-ethenyl-3-pyridinyl)methanamine;2-[2-[(6-ethenyl-3-pyridinyl)methylamino]-2-oxoethoxy]acetic acid;3-(6-ethenyl-3-pyridinyl)propanoic acid;2-ethenyl-5-(trifluoromethyl)pyridine-4-carboxylic acid;6-ethenyl-4-(trifluoromethyl)pyridine-3-carboxylic acid?
6-ethenylpyridine-3-carboxylic acid;2-(6-ethenyl-3-pyridinyl)acetic acid;(6-ethenyl-3-pyridinyl)methanamine;2-[2-[(6-ethenyl-3-pyridinyl)methylamino]-2-oxoethoxy]acetic acid;3-(6-ethenyl-3-pyridinyl)propanoic acid;2-ethenyl-5-(trifluoromethyl)pyridine-4-carboxylic acid;6-ethenyl-4-(trifluoromethyl)pyridine-3-carboxylic acid has a molecular weight of 1308.26 g/mol, XLogP of 11.02, 22 rotatable bonds, 8 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethenylpyridine-3-carboxylic acid;2-(6-ethenyl-3-pyridinyl)acetic acid;(6-ethenyl-3-pyridinyl)methanamine;2-[2-[(6-ethenyl-3-pyridinyl)methylamino]-2-oxoethoxy]acetic acid;3-(6-ethenyl-3-pyridinyl)propanoic acid;2-ethenyl-5-(trifluoromethyl)pyridine-4-carboxylic acid;6-ethenyl-4-(trifluoromethyl)pyridine-3-carboxylic acid is sourced from PubChem (CID 161267007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).