3-[2-(4-chloro-3-methylphenyl)ethyl]pyridine-4-carboxylic acid;3-[2-[2-[(dimethylamino)methyl]phenyl]ethyl]pyridine-4-carboxylic acid;3-[2-(2,4-dimethylphenyl)ethyl]pyridine-4-carboxylic acid;bis(3-[2-(4-methylphenyl)ethyl]pyridine-4-carboxylic acid);3-[2-(4-phenoxyphenyl)ethyl]pyridine-4-carboxylic acid;3-[2-(4-propan-2-yloxyphenyl)ethyl]pyridine-4-carboxylic acid

C115H117ClN8O16 — CID 160596320

IUPAC3-[2-(4-chloro-3-methylphenyl)ethyl]pyridine-4-carboxylic acid;3-[2-[2-[(dimethylamino)methyl]phenyl]ethyl]pyridine-4-carboxylic acid;3-[2-(2,4-dimethylphenyl)ethyl]pyridine-4-carboxylic acid;bis(3-[2-(4-methylphenyl)ethyl]pyridine-4-carboxylic acid);3-[2-(4-phenoxyphenyl)ethyl]pyridine-4-carboxylic acid;3-[2-(4-propan-2-yloxyphenyl)ethyl]pyridine-4-carboxylic acid
SMILESCC(C)Oc1ccc(CCc2cnccc2C(=O)O)cc1.CN(C)Cc1ccccc1CCc1cnccc1C(=O)O.Cc1cc(CCc2cnccc2C(=O)O)ccc1Cl.Cc1ccc(CCc2cnccc2C(=O)O)c(C)c1.Cc1ccc(CCc2cnccc2C(=O)O)cc1.Cc1ccc(CCc2cnccc2C(=O)O)cc1.O=C(O)c1ccncc1CCc1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C20H17NO3.C17H20N2O2.C17H19NO3.C16H17NO2.C15H14ClNO2.2C15H15NO2/c22-20(23)19-12-13-21-14-16(19)9-6-15-7-10-18(11-8-15)24-17-4-2-1-3-5-17;1-19(2)12-15-6-4-3-5-13(15)7-8-14-11-18-10-9-16(14)17(20)21;1-12(2)21-15-7-4-13(5-8-15)3-6-14-11-18-10-9-16(14)17(19)20;1-11-3-4-13(12(2)9-11)5-6-14-10-17-8-7-15(14)16(18)19;1-10-8-11(3-5-14(10)16)2-4-12-9-17-7-6-13(12)15(18)19;2*1-11-2-4-12(5-3-11)6-7-13-10-16-9-8-14(13)15(17)18/h1-5,7-8,10-14H,6,9H2,(H,22,23);3-6,9-11H,7-8,12H2,1-2H3,(H,20,21);4-5,7-12H,3,6H2,1-2H3,(H,19,20);3-4,7-10H,5-6H2,1-2H3,(H,18,19);3,5-9H,2,4H2,1H3,(H,18,19);2*2-5,8-10H,6-7H2,1H3,(H,17,18)
InChIKeyRDRJZYXVEDVTSV-UHFFFAOYSA-N
MW1902.69 g/mol
LogP22.79
Rot. Bonds34

About 3-[2-(4-chloro-3-methylphenyl)ethyl]pyridine-4-carboxylic acid;3-[2-[2-[(dimethylamino)methyl]phenyl]ethyl]pyridine-4-carboxylic acid;3-[2-(2,4-dimethylphenyl)ethyl]pyridine-4-carboxylic acid;bis(3-[2-(4-methylphenyl)ethyl]pyridine-4-carboxylic acid);3-[2-(4-phenoxyphenyl)ethyl]pyridine-4-carboxylic acid;3-[2-(4-propan-2-yloxyphenyl)ethyl]pyridine-4-carboxylic acid

3-[2-(4-chloro-3-methylphenyl)ethyl]pyridine-4-carboxylic acid;3-[2-[2-[(dimethylamino)methyl]phenyl]ethyl]pyridine-4-carboxylic acid;3-[2-(2,4-dimethylphenyl)ethyl]pyridine-4-carboxylic acid;bis(3-[2-(4-methylphenyl)ethyl]pyridine-4-carboxylic acid);3-[2-(4-phenoxyphenyl)ethyl]pyridine-4-carboxylic acid;3-[2-(4-propan-2-yloxyphenyl)ethyl]pyridine-4-carboxylic acid (PubChem CID 160596320) has the molecular formula C115H117ClN8O16 and a molecular weight of 1902.69 g/mol. Its IUPAC name is 3-[2-(4-chloro-3-methylphenyl)ethyl]pyridine-4-carboxylic acid;3-[2-[2-[(dimethylamino)methyl]phenyl]ethyl]pyridine-4-carboxylic acid;3-[2-(2,4-dimethylphenyl)ethyl]pyridine-4-carboxylic acid;bis(3-[2-(4-methylphenyl)ethyl]pyridine-4-carboxylic acid);3-[2-(4-phenoxyphenyl)ethyl]pyridine-4-carboxylic acid;3-[2-(4-propan-2-yloxyphenyl)ethyl]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name3-[2-(4-chloro-3-methylphenyl)ethyl]pyridine-4-carboxylic acid;3-[2-[2-[(dimethylamino)methyl]phenyl]ethyl]pyridine-4-carboxylic acid;3-[2-(2,4-dimethylphenyl)ethyl]pyridine-4-carboxylic acid;bis(3-[2-(4-methylphenyl)ethyl]pyridine-4-carboxylic acid);3-[2-(4-phenoxyphenyl)ethyl]pyridine-4-carboxylic acid;3-[2-(4-propan-2-yloxyphenyl)ethyl]pyridine-4-carboxylic acid
PubChem CID160596320
Molecular FormulaC115H117ClN8O16
Molecular Weight1902.69 g/mol
Exact Mass1900.83
IUPAC Name3-[2-(4-chloro-3-methylphenyl)ethyl]pyridine-4-carboxylic acid;3-[2-[2-[(dimethylamino)methyl]phenyl]ethyl]pyridine-4-carboxylic acid;3-[2-(2,4-dimethylphenyl)ethyl]pyridine-4-carboxylic acid;bis(3-[2-(4-methylphenyl)ethyl]pyridine-4-carboxylic acid);3-[2-(4-phenoxyphenyl)ethyl]pyridine-4-carboxylic acid;3-[2-(4-propan-2-yloxyphenyl)ethyl]pyridine-4-carboxylic acid
SMILESCC(C)Oc1ccc(CCc2cnccc2C(=O)O)cc1.CN(C)Cc1ccccc1CCc1cnccc1C(=O)O.Cc1cc(CCc2cnccc2C(=O)O)ccc1Cl.Cc1ccc(CCc2cnccc2C(=O)O)c(C)c1.Cc1ccc(CCc2cnccc2C(=O)O)cc1.Cc1ccc(CCc2cnccc2C(=O)O)cc1.O=C(O)c1ccncc1CCc1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C20H17NO3.C17H20N2O2.C17H19NO3.C16H17NO2.C15H14ClNO2.2C15H15NO2/c22-20(23)19-12-13-21-14-16(19)9-6-15-7-10-18(11-8-15)24-17-4-2-1-3-5-17;1-19(2)12-15-6-4-3-5-13(15)7-8-14-11-18-10-9-16(14)17(20)21;1-12(2)21-15-7-4-13(5-8-15)3-6-14-11-18-10-9-16(14)17(19)20;1-11-3-4-13(12(2)9-11)5-6-14-10-17-8-7-15(14)16(18)19;1-10-8-11(3-5-14(10)16)2-4-12-9-17-7-6-13(12)15(18)19;2*1-11-2-4-12(5-3-11)6-7-13-10-16-9-8-14(13)15(17)18/h1-5,7-8,10-14H,6,9H2,(H,22,23);3-6,9-11H,7-8,12H2,1-2H3,(H,20,21);4-5,7-12H,3,6H2,1-2H3,(H,19,20);3-4,7-10H,5-6H2,1-2H3,(H,18,19);3,5-9H,2,4H2,1H3,(H,18,19);2*2-5,8-10H,6-7H2,1H3,(H,17,18)
InChIKeyRDRJZYXVEDVTSV-UHFFFAOYSA-N
XLogP22.79
TPSA373.03 Ų
H-Bond Donors7
H-Bond Acceptors17
Rotatable Bonds34
Heavy Atoms140
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001902.69
LogP ≤ 522.79
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1017

Analyze 3-[2-(4-chloro-3-methylphenyl)ethyl]pyridine-4-carboxylic acid;3-[2-[2-[(dimethylamino)methyl]phenyl]ethyl]pyridine-4-carboxylic acid;3-[2-(2,4-dimethylphenyl)ethyl]pyridine-4-carboxylic acid;bis(3-[2-(4-methylphenyl)ethyl]pyridine-4-carboxylic acid);3-[2-(4-phenoxyphenyl)ethyl]pyridine-4-carboxylic acid;3-[2-(4-propan-2-yloxyphenyl)ethyl]pyridine-4-carboxylic acid with MolForge

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Related Compounds

3-[2-(1-benzofuran-3-yl)ethyl]pyridine-4-carboxylic acid;3-[2-(2-chloro-4-methylphenyl)ethyl]pyridine-4-carboxylic acid;3-[2-(4-chloro-3-methylphenyl)ethyl]pyridine-4-carboxylic acid;3-[2-(2,3-dihydro-1,4-benzodioxin-3-yl)ethyl]pyridine-4-carboxylic acid;3-[2-(2,3-dihydro-1-benzofuran-2-yl)ethyl]pyridine-4-carboxylic acid;3-[2-(2,4-dimethoxyphenyl)ethyl]pyridine-4-carboxylic acid;3-[2-[2-[(dimethylamino)methyl]phenyl]ethyl]pyridine-4-carboxylic acid;3-[2-(2,4-dimethylphenyl)ethyl]pyridine-4-carboxylic acid;3-[2-(4-ethynylphenyl)ethyl]pyridine-4-carboxylic acid;3-[2-(2-hydroxyphenyl)ethyl]pyridine-4-carboxylic acid
CID 159229116
3-[2-[7-(4-methylphenoxy)-3,4-dihydro-2H-chromen-4-yl]ethyl]pyridine-4-carboxylic acid
CID 158359004
2-methyl-4-[2-[2-(2-phenylethyl)phenyl]ethyl]benzoic acid
CID 22675489
3-[2-(2-cyclopropyl-5-methylphenyl)ethyl]pyridine-4-carboxylic acid
CID 147827260
2-chloro-4-methyl-N-[3-(4-propan-2-yloxyphenyl)propyl]benzamide
CID 100521910
3-(2-hydroxypropyl)pyridine-4-carboxylic acid
CID 165349315
(2R)-2-(4-chloro-3-methylphenoxy)-N-(pyridin-3-ylmethyl)propanamide
CID 890845
1-methyl-4-phenoxybenzene;phthalic acid
CID 70486584
2,4-dimethyl-1-(2-phenylethyl)benzene;gold
CID 173364905
2-[[methyl-[(4-methylphenyl)methyl]amino]methyl]benzoic acid
CID 43473283
2-methyl-N-[2-(4-phenoxyphenyl)ethyl]propanamide
CID 22953723
2-(4-chloro-3-methylphenoxy)-N-(3-propan-2-yloxyphenyl)propanamide
CID 132652829

Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-chloro-3-methylphenyl)ethyl]pyridine-4-carboxylic acid;3-[2-[2-[(dimethylamino)methyl]phenyl]ethyl]pyridine-4-carboxylic acid;3-[2-(2,4-dimethylphenyl)ethyl]pyridine-4-carboxylic acid;bis(3-[2-(4-methylphenyl)ethyl]pyridine-4-carboxylic acid);3-[2-(4-phenoxyphenyl)ethyl]pyridine-4-carboxylic acid;3-[2-(4-propan-2-yloxyphenyl)ethyl]pyridine-4-carboxylic acid?
The IUPAC name of 3-[2-(4-chloro-3-methylphenyl)ethyl]pyridine-4-carboxylic acid;3-[2-[2-[(dimethylamino)methyl]phenyl]ethyl]pyridine-4-carboxylic acid;3-[2-(2,4-dimethylphenyl)ethyl]pyridine-4-carboxylic acid;bis(3-[2-(4-methylphenyl)ethyl]pyridine-4-carboxylic acid);3-[2-(4-phenoxyphenyl)ethyl]pyridine-4-carboxylic acid;3-[2-(4-propan-2-yloxyphenyl)ethyl]pyridine-4-carboxylic acid (CID 160596320) is 3-[2-(4-chloro-3-methylphenyl)ethyl]pyridine-4-carboxylic acid;3-[2-[2-[(dimethylamino)methyl]phenyl]ethyl]pyridine-4-carboxylic acid;3-[2-(2,4-dimethylphenyl)ethyl]pyridine-4-carboxylic acid;bis(3-[2-(4-methylphenyl)ethyl]pyridine-4-carboxylic acid);3-[2-(4-phenoxyphenyl)ethyl]pyridine-4-carboxylic acid;3-[2-(4-propan-2-yloxyphenyl)ethyl]pyridine-4-carboxylic acid.
What is the SMILES notation for 3-[2-(4-chloro-3-methylphenyl)ethyl]pyridine-4-carboxylic acid;3-[2-[2-[(dimethylamino)methyl]phenyl]ethyl]pyridine-4-carboxylic acid;3-[2-(2,4-dimethylphenyl)ethyl]pyridine-4-carboxylic acid;bis(3-[2-(4-methylphenyl)ethyl]pyridine-4-carboxylic acid);3-[2-(4-phenoxyphenyl)ethyl]pyridine-4-carboxylic acid;3-[2-(4-propan-2-yloxyphenyl)ethyl]pyridine-4-carboxylic acid?
The canonical SMILES for 3-[2-(4-chloro-3-methylphenyl)ethyl]pyridine-4-carboxylic acid;3-[2-[2-[(dimethylamino)methyl]phenyl]ethyl]pyridine-4-carboxylic acid;3-[2-(2,4-dimethylphenyl)ethyl]pyridine-4-carboxylic acid;bis(3-[2-(4-methylphenyl)ethyl]pyridine-4-carboxylic acid);3-[2-(4-phenoxyphenyl)ethyl]pyridine-4-carboxylic acid;3-[2-(4-propan-2-yloxyphenyl)ethyl]pyridine-4-carboxylic acid is CC(C)Oc1ccc(CCc2cnccc2C(=O)O)cc1.CN(C)Cc1ccccc1CCc1cnccc1C(=O)O.Cc1cc(CCc2cnccc2C(=O)O)ccc1Cl.Cc1ccc(CCc2cnccc2C(=O)O)c(C)c1.Cc1ccc(CCc2cnccc2C(=O)O)cc1.Cc1ccc(CCc2cnccc2C(=O)O)cc1.O=C(O)c1ccncc1CCc1ccc(Oc2ccccc2)cc1.
What is the InChIKey of 3-[2-(4-chloro-3-methylphenyl)ethyl]pyridine-4-carboxylic acid;3-[2-[2-[(dimethylamino)methyl]phenyl]ethyl]pyridine-4-carboxylic acid;3-[2-(2,4-dimethylphenyl)ethyl]pyridine-4-carboxylic acid;bis(3-[2-(4-methylphenyl)ethyl]pyridine-4-carboxylic acid);3-[2-(4-phenoxyphenyl)ethyl]pyridine-4-carboxylic acid;3-[2-(4-propan-2-yloxyphenyl)ethyl]pyridine-4-carboxylic acid?
The InChIKey is RDRJZYXVEDVTSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17NO3.C17H20N2O2.C17H19NO3.C16H17NO2.C15H14ClNO2.2C15H15NO2/c22-20(23)19-12-13-21-14-16(19)9-6-15-7-10-18(11-8-15)24-17-4-2-1-3-5-17;1-19(2)12-15-6-4-3-5-13(15)7-8-14-11-18-10-9-16(14)17(20)21;1-12(2)21-15-7-4-13(5-8-15)3-6-14-11-18-10-9-16(14)17(19)20;1-11-3-4-13(12(2)9-11)5-6-14-10-17-8-7-15(14)16(18)19;1-10-8-11(3-5-14(10)16)2-4-12-9-17-7-6-13(12)15(18)19;2*1-11-2-4-12(5-3-11)6-7-13-10-16-9-8-14(13)15(17)18/h1-5,7-8,10-14H,6,9H2,(H,22,23);3-6,9-11H,7-8,12H2,1-2H3,(H,20,21);4-5,7-12H,3,6H2,1-2H3,(H,19,20);3-4,7-10H,5-6H2,1-2H3,(H,18,19);3,5-9H,2,4H2,1H3,(H,18,19);2*2-5,8-10H,6-7H2,1H3,(H,17,18).
What are the key properties of 3-[2-(4-chloro-3-methylphenyl)ethyl]pyridine-4-carboxylic acid;3-[2-[2-[(dimethylamino)methyl]phenyl]ethyl]pyridine-4-carboxylic acid;3-[2-(2,4-dimethylphenyl)ethyl]pyridine-4-carboxylic acid;bis(3-[2-(4-methylphenyl)ethyl]pyridine-4-carboxylic acid);3-[2-(4-phenoxyphenyl)ethyl]pyridine-4-carboxylic acid;3-[2-(4-propan-2-yloxyphenyl)ethyl]pyridine-4-carboxylic acid?
3-[2-(4-chloro-3-methylphenyl)ethyl]pyridine-4-carboxylic acid;3-[2-[2-[(dimethylamino)methyl]phenyl]ethyl]pyridine-4-carboxylic acid;3-[2-(2,4-dimethylphenyl)ethyl]pyridine-4-carboxylic acid;bis(3-[2-(4-methylphenyl)ethyl]pyridine-4-carboxylic acid);3-[2-(4-phenoxyphenyl)ethyl]pyridine-4-carboxylic acid;3-[2-(4-propan-2-yloxyphenyl)ethyl]pyridine-4-carboxylic acid has a molecular weight of 1902.69 g/mol, XLogP of 22.79, 34 rotatable bonds, 7 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-chloro-3-methylphenyl)ethyl]pyridine-4-carboxylic acid;3-[2-[2-[(dimethylamino)methyl]phenyl]ethyl]pyridine-4-carboxylic acid;3-[2-(2,4-dimethylphenyl)ethyl]pyridine-4-carboxylic acid;bis(3-[2-(4-methylphenyl)ethyl]pyridine-4-carboxylic acid);3-[2-(4-phenoxyphenyl)ethyl]pyridine-4-carboxylic acid;3-[2-(4-propan-2-yloxyphenyl)ethyl]pyridine-4-carboxylic acid is sourced from PubChem (CID 160596320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).