methyl 6-amino-5-[(E)-2-(3-fluorophenyl)prop-1-enyl]pyridine-3-carboxylate

C16H15FN2O2 — CID 146430162

IUPACmethyl 6-amino-5-[(E)-2-(3-fluorophenyl)prop-1-enyl]pyridine-3-carboxylate
SMILESCOC(=O)c1cnc(N)c(/C=C(\C)c2cccc(F)c2)c1
InChIInChI=1S/C16H15FN2O2/c1-10(11-4-3-5-14(17)8-11)6-12-7-13(16(20)21-2)9-19-15(12)18/h3-9H,1-2H3,(H2,18,19)/b10-6+
InChIKeyXJGSWPDSJWEBMZ-UXBLZVDNSA-N
MW286.31 g/mol
LogP3.15
Rot. Bonds3

About methyl 6-amino-5-[(E)-2-(3-fluorophenyl)prop-1-enyl]pyridine-3-carboxylate

methyl 6-amino-5-[(E)-2-(3-fluorophenyl)prop-1-enyl]pyridine-3-carboxylate (PubChem CID 146430162) has the molecular formula C16H15FN2O2 and a molecular weight of 286.31 g/mol. Its IUPAC name is methyl 6-amino-5-[(E)-2-(3-fluorophenyl)prop-1-enyl]pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 6-amino-5-[(E)-2-(3-fluorophenyl)prop-1-enyl]pyridine-3-carboxylate
PubChem CID146430162
Molecular FormulaC16H15FN2O2
Molecular Weight286.31 g/mol
Exact Mass286.11
IUPAC Namemethyl 6-amino-5-[(E)-2-(3-fluorophenyl)prop-1-enyl]pyridine-3-carboxylate
SMILESCOC(=O)c1cnc(N)c(/C=C(\C)c2cccc(F)c2)c1
InChIInChI=1S/C16H15FN2O2/c1-10(11-4-3-5-14(17)8-11)6-12-7-13(16(20)21-2)9-19-15(12)18/h3-9H,1-2H3,(H2,18,19)/b10-6+
InChIKeyXJGSWPDSJWEBMZ-UXBLZVDNSA-N
XLogP3.15
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.31
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-fluorobenzoate
CID 521184
methyl 6-amino-5-(4-methoxy-4-oxobut-1-enyl)pyridine-3-carboxylate
CID 170501488
methyl 6-amino-5-(3-cyanoprop-1-enyl)pyridine-3-carboxylate
CID 170800288
methyl 3-(6-amino-5-bromo-3-pyridinyl)benzoate
CID 178039598
2-amino-5-methoxycarbonylpyridine-3-carboxylic acid
CID 130066862
methyl 6-amino-5-[2-(trifluoromethyl)phenyl]pyridine-3-carboxylate
CID 134635594
methyl 6-amino-5-[3-(trifluoromethoxy)phenyl]pyridine-3-carboxylate
CID 133086893
methyl 4-(6-amino-5-methyl-3-pyridinyl)benzoate
CID 82556066
ethane;methyl 6-[(3-fluorophenyl)methyl]pyridine-3-carboxylate
CID 91575193
(2-amino-5-methoxycarbonyl-3-pyridinyl)oxyboronic acid
CID 169224427
methyl 6-amino-5-[4-(phenylmethoxycarbonylamino)but-1-enyl]pyridine-3-carboxylate
CID 170494649
methyl 2-[(3-fluorobenzoyl)amino]-1,3-thiazole-5-carboxylate
CID 17415241

Frequently Asked Questions

What is the IUPAC name of methyl 6-amino-5-[(E)-2-(3-fluorophenyl)prop-1-enyl]pyridine-3-carboxylate?
The IUPAC name of methyl 6-amino-5-[(E)-2-(3-fluorophenyl)prop-1-enyl]pyridine-3-carboxylate (CID 146430162) is methyl 6-amino-5-[(E)-2-(3-fluorophenyl)prop-1-enyl]pyridine-3-carboxylate.
What is the SMILES notation for methyl 6-amino-5-[(E)-2-(3-fluorophenyl)prop-1-enyl]pyridine-3-carboxylate?
The canonical SMILES for methyl 6-amino-5-[(E)-2-(3-fluorophenyl)prop-1-enyl]pyridine-3-carboxylate is COC(=O)c1cnc(N)c(/C=C(\C)c2cccc(F)c2)c1.
What is the InChIKey of methyl 6-amino-5-[(E)-2-(3-fluorophenyl)prop-1-enyl]pyridine-3-carboxylate?
The InChIKey is XJGSWPDSJWEBMZ-UXBLZVDNSA-N. The full InChI is InChI=1S/C16H15FN2O2/c1-10(11-4-3-5-14(17)8-11)6-12-7-13(16(20)21-2)9-19-15(12)18/h3-9H,1-2H3,(H2,18,19)/b10-6+.
What are the key properties of methyl 6-amino-5-[(E)-2-(3-fluorophenyl)prop-1-enyl]pyridine-3-carboxylate?
methyl 6-amino-5-[(E)-2-(3-fluorophenyl)prop-1-enyl]pyridine-3-carboxylate has a molecular weight of 286.31 g/mol, XLogP of 3.15, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-amino-5-[(E)-2-(3-fluorophenyl)prop-1-enyl]pyridine-3-carboxylate is sourced from PubChem (CID 146430162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).