3-chloro-2-[(2-methoxyphenyl)methylamino]pyridine-4-carboxylic acid

C14H13ClN2O3 — CID 107061768

IUPAC3-chloro-2-[(2-methoxyphenyl)methylamino]pyridine-4-carboxylic acid
SMILESCOc1ccccc1CNc1nccc(C(=O)O)c1Cl
InChIInChI=1S/C14H13ClN2O3/c1-20-11-5-3-2-4-9(11)8-17-13-12(15)10(14(18)19)6-7-16-13/h2-7H,8H2,1H3,(H,16,17)(H,18,19)
InChIKeyQMHOXPHINQNRLF-UHFFFAOYSA-N
MW292.72 g/mol
LogP3.05
Rot. Bonds5

About 3-chloro-2-[(2-methoxyphenyl)methylamino]pyridine-4-carboxylic acid

3-chloro-2-[(2-methoxyphenyl)methylamino]pyridine-4-carboxylic acid (PubChem CID 107061768) has the molecular formula C14H13ClN2O3 and a molecular weight of 292.72 g/mol. Its IUPAC name is 3-chloro-2-[(2-methoxyphenyl)methylamino]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name3-chloro-2-[(2-methoxyphenyl)methylamino]pyridine-4-carboxylic acid
PubChem CID107061768
Molecular FormulaC14H13ClN2O3
Molecular Weight292.72 g/mol
Exact Mass292.06
IUPAC Name3-chloro-2-[(2-methoxyphenyl)methylamino]pyridine-4-carboxylic acid
SMILESCOc1ccccc1CNc1nccc(C(=O)O)c1Cl
InChIInChI=1S/C14H13ClN2O3/c1-20-11-5-3-2-4-9(11)8-17-13-12(15)10(14(18)19)6-7-16-13/h2-7H,8H2,1H3,(H,16,17)(H,18,19)
InChIKeyQMHOXPHINQNRLF-UHFFFAOYSA-N
XLogP3.05
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.72
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-2-[(2-fluorophenyl)methylamino]pyridine-4-carboxylic acid
CID 107061814
3-chloro-2-[(3-ethyl-2-pyridinyl)methylamino]pyridine-4-carboxylic acid
CID 107062918
2-[[2-[(2-methylpropan-2-yl)oxy]phenyl]methylamino]pyridine-3-carboxylic acid
CID 167970694
3-chloro-2-[(2,4-difluorophenyl)methylamino]pyridine-4-carboxylic acid
CID 107061923
3-chloro-2-[(1,5-dimethylpyrazol-4-yl)methylamino]pyridine-4-carboxylic acid
CID 106042704
4-chloro-N-[(2-methoxyphenyl)methyl]-3-nitropyridin-2-amine
CID 24903327
3-chloro-2-[(3-ethylthiophen-2-yl)methylamino]pyridine-4-carboxylic acid
CID 107062834
3-[(2-methoxyphenyl)methylamino]-1H-pyrazin-2-one
CID 115650170
3-fluoro-2-[(2-methoxyphenyl)methylamino]benzoic acid
CID 62648491
3-chloro-2-[2-(4-fluorophenyl)ethylamino]pyridine-4-carboxylic acid
CID 107061773
3-[(2-methoxyphenyl)methylamino]pyridazine-4-carbothioamide
CID 80510898
2-[(2-methoxyphenyl)methylamino]-N-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 23632370

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-[(2-methoxyphenyl)methylamino]pyridine-4-carboxylic acid?
The IUPAC name of 3-chloro-2-[(2-methoxyphenyl)methylamino]pyridine-4-carboxylic acid (CID 107061768) is 3-chloro-2-[(2-methoxyphenyl)methylamino]pyridine-4-carboxylic acid.
What is the SMILES notation for 3-chloro-2-[(2-methoxyphenyl)methylamino]pyridine-4-carboxylic acid?
The canonical SMILES for 3-chloro-2-[(2-methoxyphenyl)methylamino]pyridine-4-carboxylic acid is COc1ccccc1CNc1nccc(C(=O)O)c1Cl.
What is the InChIKey of 3-chloro-2-[(2-methoxyphenyl)methylamino]pyridine-4-carboxylic acid?
The InChIKey is QMHOXPHINQNRLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN2O3/c1-20-11-5-3-2-4-9(11)8-17-13-12(15)10(14(18)19)6-7-16-13/h2-7H,8H2,1H3,(H,16,17)(H,18,19).
What are the key properties of 3-chloro-2-[(2-methoxyphenyl)methylamino]pyridine-4-carboxylic acid?
3-chloro-2-[(2-methoxyphenyl)methylamino]pyridine-4-carboxylic acid has a molecular weight of 292.72 g/mol, XLogP of 3.05, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-[(2-methoxyphenyl)methylamino]pyridine-4-carboxylic acid is sourced from PubChem (CID 107061768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).