2-amino-5-(5-chloro-2-methoxyphenyl)pyridine-3-carboxylic acid

C13H11ClN2O3 — CID 53223935

IUPAC2-amino-5-(5-chloro-2-methoxyphenyl)pyridine-3-carboxylic acid
SMILESCOc1ccc(Cl)cc1-c1cnc(N)c(C(=O)O)c1
InChIInChI=1S/C13H11ClN2O3/c1-19-11-3-2-8(14)5-9(11)7-4-10(13(17)18)12(15)16-6-7/h2-6H,1H3,(H2,15,16)(H,17,18)
InChIKeyKLSBACUNMXVESU-UHFFFAOYSA-N
MW278.70 g/mol
LogP2.69
Rot. Bonds3

About 2-amino-5-(5-chloro-2-methoxyphenyl)pyridine-3-carboxylic acid

2-amino-5-(5-chloro-2-methoxyphenyl)pyridine-3-carboxylic acid (PubChem CID 53223935) has the molecular formula C13H11ClN2O3 and a molecular weight of 278.70 g/mol. Its IUPAC name is 2-amino-5-(5-chloro-2-methoxyphenyl)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-amino-5-(5-chloro-2-methoxyphenyl)pyridine-3-carboxylic acid
PubChem CID53223935
Molecular FormulaC13H11ClN2O3
Molecular Weight278.70 g/mol
Exact Mass278.05
IUPAC Name2-amino-5-(5-chloro-2-methoxyphenyl)pyridine-3-carboxylic acid
SMILESCOc1ccc(Cl)cc1-c1cnc(N)c(C(=O)O)c1
InChIInChI=1S/C13H11ClN2O3/c1-19-11-3-2-8(14)5-9(11)7-4-10(13(17)18)12(15)16-6-7/h2-6H,1H3,(H2,15,16)(H,17,18)
InChIKeyKLSBACUNMXVESU-UHFFFAOYSA-N
XLogP2.69
TPSA85.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.70
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-5-(2-methoxyphenyl)pyridine-3-carboxylic acid
CID 53222773
4-(5-chloro-2-methoxyphenyl)phthalic acid
CID 21072423
5-(5-chloro-2-methoxyphenyl)-2-fluorobenzoic acid
CID 53211125
5-(5-chloro-2-methoxyphenyl)pyridine-3-carboxylic acid
CID 52984128
4-chloro-2-(2-methoxyphenyl)benzoic acid
CID 53225407
3-(5-chloro-2-methoxyphenyl)-1H-pyrazole-5-carboxylic acid
CID 3313057
2-methoxy-5-[2-methoxy-5-(trifluoromethyl)phenyl]pyridine-3-carboxylic acid
CID 53224496
5-amino-4-(5-chloro-2-methoxyphenyl)-1,2-oxazole-3-carboxylic acid
CID 82092642
5-chloro-2-(2-methoxyphenyl)benzoic acid
CID 39232682
2-chloro-5-(4-methoxy-3-methylphenyl)pyridine-3-carboxylic acid
CID 53223255
4-[5-chloro-2-(trideuteriomethoxy)phenyl]-6-methylpyridine-3-carboxylic acid
CID 168984872
2-(5-chloro-2-methoxyphenyl)-6-propan-2-ylquinoline-4-carboxylic acid
CID 3441823

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-(5-chloro-2-methoxyphenyl)pyridine-3-carboxylic acid?
The IUPAC name of 2-amino-5-(5-chloro-2-methoxyphenyl)pyridine-3-carboxylic acid (CID 53223935) is 2-amino-5-(5-chloro-2-methoxyphenyl)pyridine-3-carboxylic acid.
What is the SMILES notation for 2-amino-5-(5-chloro-2-methoxyphenyl)pyridine-3-carboxylic acid?
The canonical SMILES for 2-amino-5-(5-chloro-2-methoxyphenyl)pyridine-3-carboxylic acid is COc1ccc(Cl)cc1-c1cnc(N)c(C(=O)O)c1.
What is the InChIKey of 2-amino-5-(5-chloro-2-methoxyphenyl)pyridine-3-carboxylic acid?
The InChIKey is KLSBACUNMXVESU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClN2O3/c1-19-11-3-2-8(14)5-9(11)7-4-10(13(17)18)12(15)16-6-7/h2-6H,1H3,(H2,15,16)(H,17,18).
What are the key properties of 2-amino-5-(5-chloro-2-methoxyphenyl)pyridine-3-carboxylic acid?
2-amino-5-(5-chloro-2-methoxyphenyl)pyridine-3-carboxylic acid has a molecular weight of 278.70 g/mol, XLogP of 2.69, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-(5-chloro-2-methoxyphenyl)pyridine-3-carboxylic acid is sourced from PubChem (CID 53223935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).