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

C14H12Cl2N2O2 — CID 63537177

IUPAC6-chloro-2-[1-(3-chlorophenyl)ethylamino]pyridine-3-carboxylic acid
SMILESCC(Nc1nc(Cl)ccc1C(=O)O)c1cccc(Cl)c1
InChIInChI=1S/C14H12Cl2N2O2/c1-8(9-3-2-4-10(15)7-9)17-13-11(14(19)20)5-6-12(16)18-13/h2-8H,1H3,(H,17,18)(H,19,20)
InChIKeyRPAXSAULQOJPFA-UHFFFAOYSA-N
MW311.17 g/mol
LogP4.26
Rot. Bonds4

About 6-chloro-2-[1-(3-chlorophenyl)ethylamino]pyridine-3-carboxylic acid

6-chloro-2-[1-(3-chlorophenyl)ethylamino]pyridine-3-carboxylic acid (PubChem CID 63537177) has the molecular formula C14H12Cl2N2O2 and a molecular weight of 311.17 g/mol. Its IUPAC name is 6-chloro-2-[1-(3-chlorophenyl)ethylamino]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-chloro-2-[1-(3-chlorophenyl)ethylamino]pyridine-3-carboxylic acid
PubChem CID63537177
Molecular FormulaC14H12Cl2N2O2
Molecular Weight311.17 g/mol
Exact Mass310.03
IUPAC Name6-chloro-2-[1-(3-chlorophenyl)ethylamino]pyridine-3-carboxylic acid
SMILESCC(Nc1nc(Cl)ccc1C(=O)O)c1cccc(Cl)c1
InChIInChI=1S/C14H12Cl2N2O2/c1-8(9-3-2-4-10(15)7-9)17-13-11(14(19)20)5-6-12(16)18-13/h2-8H,1H3,(H,17,18)(H,19,20)
InChIKeyRPAXSAULQOJPFA-UHFFFAOYSA-N
XLogP4.26
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.17
LogP ≤ 54.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-[1-(3-chlorophenyl)ethylamino]pyridine-3-carboxylic acid
CID 60655016
6-chloro-2-(propan-2-ylamino)pyridine-3-carboxylic acid
CID 63376973
2-[1-(3-chlorophenyl)ethylamino]-4-methylbenzoic acid
CID 63511697
6-chloro-2-(1,3-dihydroxypropan-2-ylamino)pyridine-3-carboxylic acid
CID 65313622
6-chloro-2-[(1-hydroxy-4-methylpentan-2-yl)amino]pyridine-3-carboxylic acid
CID 114093876
6-chloro-2-(pentan-2-ylamino)pyridine-3-carboxylic acid
CID 63376636
6-chloro-2-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]pyridine-3-carboxylic acid
CID 79241848
4-[[[(1R)-1-(3-chlorophenyl)ethyl]amino]methyl]-2-fluorobenzoic acid
CID 106700279
2-N-[1-(3-chlorophenyl)ethyl]-3-nitropyridine-2,6-diamine
CID 80802264
5-[[(1S)-1-(3-chlorophenyl)ethyl]sulfamoyl]-1H-pyrazole-4-carboxylic acid
CID 81352466
methyl 2-[1-(3-chlorophenyl)ethylamino]benzoate
CID 43321995
6-[[[(1S)-1-(3-chlorophenyl)ethyl]amino]methyl]pyridine-2-carboxylic acid
CID 106904845

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-[1-(3-chlorophenyl)ethylamino]pyridine-3-carboxylic acid?
The IUPAC name of 6-chloro-2-[1-(3-chlorophenyl)ethylamino]pyridine-3-carboxylic acid (CID 63537177) is 6-chloro-2-[1-(3-chlorophenyl)ethylamino]pyridine-3-carboxylic acid.
What is the SMILES notation for 6-chloro-2-[1-(3-chlorophenyl)ethylamino]pyridine-3-carboxylic acid?
The canonical SMILES for 6-chloro-2-[1-(3-chlorophenyl)ethylamino]pyridine-3-carboxylic acid is CC(Nc1nc(Cl)ccc1C(=O)O)c1cccc(Cl)c1.
What is the InChIKey of 6-chloro-2-[1-(3-chlorophenyl)ethylamino]pyridine-3-carboxylic acid?
The InChIKey is RPAXSAULQOJPFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Cl2N2O2/c1-8(9-3-2-4-10(15)7-9)17-13-11(14(19)20)5-6-12(16)18-13/h2-8H,1H3,(H,17,18)(H,19,20).
What are the key properties of 6-chloro-2-[1-(3-chlorophenyl)ethylamino]pyridine-3-carboxylic acid?
6-chloro-2-[1-(3-chlorophenyl)ethylamino]pyridine-3-carboxylic acid has a molecular weight of 311.17 g/mol, XLogP of 4.26, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-[1-(3-chlorophenyl)ethylamino]pyridine-3-carboxylic acid is sourced from PubChem (CID 63537177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).