2-[1-(3-chlorophenyl)ethylamino]pyridine-3-carboxylic acid

C14H13ClN2O2 — CID 60655016

IUPAC2-[1-(3-chlorophenyl)ethylamino]pyridine-3-carboxylic acid
SMILESCC(Nc1ncccc1C(=O)O)c1cccc(Cl)c1
InChIInChI=1S/C14H13ClN2O2/c1-9(10-4-2-5-11(15)8-10)17-13-12(14(18)19)6-3-7-16-13/h2-9H,1H3,(H,16,17)(H,18,19)
InChIKeyNLJNXWACTQSRSA-UHFFFAOYSA-N
MW276.72 g/mol
LogP3.61
Rot. Bonds4

About 2-[1-(3-chlorophenyl)ethylamino]pyridine-3-carboxylic acid

2-[1-(3-chlorophenyl)ethylamino]pyridine-3-carboxylic acid (PubChem CID 60655016) has the molecular formula C14H13ClN2O2 and a molecular weight of 276.72 g/mol. Its IUPAC name is 2-[1-(3-chlorophenyl)ethylamino]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-[1-(3-chlorophenyl)ethylamino]pyridine-3-carboxylic acid
PubChem CID60655016
Molecular FormulaC14H13ClN2O2
Molecular Weight276.72 g/mol
Exact Mass276.07
IUPAC Name2-[1-(3-chlorophenyl)ethylamino]pyridine-3-carboxylic acid
SMILESCC(Nc1ncccc1C(=O)O)c1cccc(Cl)c1
InChIInChI=1S/C14H13ClN2O2/c1-9(10-4-2-5-11(15)8-10)17-13-12(14(18)19)6-3-7-16-13/h2-9H,1H3,(H,16,17)(H,18,19)
InChIKeyNLJNXWACTQSRSA-UHFFFAOYSA-N
XLogP3.61
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.72
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-chloro-2-[1-(3-chlorophenyl)ethylamino]pyridine-3-carboxylic acid
CID 63537177
2-chloro-N-[(1R)-1-(3-chlorophenyl)ethyl]pyridine-3-carboxamide
CID 26908020
2-[[(1R)-1-(3-chlorophenyl)ethyl]amino]pyridine-3-carbonitrile
CID 93417245
2-(benzhydrylamino)pyridine-3-carboxylic acid
CID 82341815
2-[1-(3-chlorophenyl)ethylamino]-4-methylbenzoic acid
CID 63511697
N-[(1S)-1-(3-chlorophenyl)ethyl]-2-(dimethylamino)pyridine-3-carboxamide
CID 38919428
N-[1-(3-chlorophenyl)ethyl]quinoline-5-carboxamide
CID 24605147
2-[(5-chloro-2-methylbenzoyl)amino]pyridine-3-carboxylic acid
CID 82881193
N-[(1R)-1-(3-chlorophenyl)ethyl]pyridine-2-carboxamide
CID 26907996
N-[(1S)-1-(3-chlorophenyl)ethyl]pyridine-2-carboxamide
CID 26907997
N-[1-(3-chlorophenyl)ethyl]quinolin-8-amine
CID 43093613
3-chloro-2-[1-(3-chlorophenyl)ethylamino]pyridine-4-carbonitrile
CID 107057219

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-chlorophenyl)ethylamino]pyridine-3-carboxylic acid?
The IUPAC name of 2-[1-(3-chlorophenyl)ethylamino]pyridine-3-carboxylic acid (CID 60655016) is 2-[1-(3-chlorophenyl)ethylamino]pyridine-3-carboxylic acid.
What is the SMILES notation for 2-[1-(3-chlorophenyl)ethylamino]pyridine-3-carboxylic acid?
The canonical SMILES for 2-[1-(3-chlorophenyl)ethylamino]pyridine-3-carboxylic acid is CC(Nc1ncccc1C(=O)O)c1cccc(Cl)c1.
What is the InChIKey of 2-[1-(3-chlorophenyl)ethylamino]pyridine-3-carboxylic acid?
The InChIKey is NLJNXWACTQSRSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN2O2/c1-9(10-4-2-5-11(15)8-10)17-13-12(14(18)19)6-3-7-16-13/h2-9H,1H3,(H,16,17)(H,18,19).
What are the key properties of 2-[1-(3-chlorophenyl)ethylamino]pyridine-3-carboxylic acid?
2-[1-(3-chlorophenyl)ethylamino]pyridine-3-carboxylic acid has a molecular weight of 276.72 g/mol, XLogP of 3.61, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-chlorophenyl)ethylamino]pyridine-3-carboxylic acid is sourced from PubChem (CID 60655016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).