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

C15H15ClN2O2 — CID 63537357

IUPAC6-chloro-2-[2-(3-methylphenyl)ethylamino]pyridine-3-carboxylic acid
SMILESCc1cccc(CCNc2nc(Cl)ccc2C(=O)O)c1
InChIInChI=1S/C15H15ClN2O2/c1-10-3-2-4-11(9-10)7-8-17-14-12(15(19)20)5-6-13(16)18-14/h2-6,9H,7-8H2,1H3,(H,17,18)(H,19,20)
InChIKeyYGEGKNYBNJVDSO-UHFFFAOYSA-N
MW290.75 g/mol
LogP3.40
Rot. Bonds5

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

6-chloro-2-[2-(3-methylphenyl)ethylamino]pyridine-3-carboxylic acid (PubChem CID 63537357) has the molecular formula C15H15ClN2O2 and a molecular weight of 290.75 g/mol. Its IUPAC name is 6-chloro-2-[2-(3-methylphenyl)ethylamino]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-chloro-2-[2-(3-methylphenyl)ethylamino]pyridine-3-carboxylic acid
PubChem CID63537357
Molecular FormulaC15H15ClN2O2
Molecular Weight290.75 g/mol
Exact Mass290.08
IUPAC Name6-chloro-2-[2-(3-methylphenyl)ethylamino]pyridine-3-carboxylic acid
SMILESCc1cccc(CCNc2nc(Cl)ccc2C(=O)O)c1
InChIInChI=1S/C15H15ClN2O2/c1-10-3-2-4-11(9-10)7-8-17-14-12(15(19)20)5-6-13(16)18-14/h2-6,9H,7-8H2,1H3,(H,17,18)(H,19,20)
InChIKeyYGEGKNYBNJVDSO-UHFFFAOYSA-N
XLogP3.40
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.75
LogP ≤ 53.40
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

6-chloro-2-N-[2-(3-methylphenyl)ethyl]pyridine-2,3-diamine
CID 115474071
6-chloro-2-[2-(4-methoxyphenyl)ethylamino]pyridine-3-carboxylic acid
CID 63376781
6-methyl-2-[(3-methylphenyl)methylamino]pyridine-3-carboxylic acid
CID 25109943
6-chloro-2-[methyl-[(3-methylphenyl)methyl]amino]pyridine-3-carboxylic acid
CID 63379816
2-[2-(3-methylphenyl)ethylamino]pyridine-3-carboxamide
CID 62315021
5-bromo-2-[2-(3-methylphenyl)ethylamino]benzoic acid
CID 114895477
6-chloro-2-(2-phenoxyethylamino)pyridine-3-carboxylic acid
CID 63380096
2,5-dichloro-N-[2-(3-methylphenyl)ethyl]pyrimidin-4-amine
CID 79631877
6-chloro-2-[2-(1,3-thiazol-4-yl)ethylamino]pyridine-3-carboxylic acid
CID 63824843
4-[2-(3-bromophenyl)ethylamino]-2-methylpyrimidine-5-carboxylic acid
CID 115148817
6-chloro-2-[(5-hydroxy-4-methylpentyl)amino]pyridine-3-carboxylic acid
CID 114152080
2-tert-butyl-6-chloro-N-[2-(3-methylphenyl)ethyl]pyrimidin-4-amine
CID 80945638

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-[2-(3-methylphenyl)ethylamino]pyridine-3-carboxylic acid?
The IUPAC name of 6-chloro-2-[2-(3-methylphenyl)ethylamino]pyridine-3-carboxylic acid (CID 63537357) is 6-chloro-2-[2-(3-methylphenyl)ethylamino]pyridine-3-carboxylic acid.
What is the SMILES notation for 6-chloro-2-[2-(3-methylphenyl)ethylamino]pyridine-3-carboxylic acid?
The canonical SMILES for 6-chloro-2-[2-(3-methylphenyl)ethylamino]pyridine-3-carboxylic acid is Cc1cccc(CCNc2nc(Cl)ccc2C(=O)O)c1.
What is the InChIKey of 6-chloro-2-[2-(3-methylphenyl)ethylamino]pyridine-3-carboxylic acid?
The InChIKey is YGEGKNYBNJVDSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2O2/c1-10-3-2-4-11(9-10)7-8-17-14-12(15(19)20)5-6-13(16)18-14/h2-6,9H,7-8H2,1H3,(H,17,18)(H,19,20).
What are the key properties of 6-chloro-2-[2-(3-methylphenyl)ethylamino]pyridine-3-carboxylic acid?
6-chloro-2-[2-(3-methylphenyl)ethylamino]pyridine-3-carboxylic acid has a molecular weight of 290.75 g/mol, XLogP of 3.40, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-[2-(3-methylphenyl)ethylamino]pyridine-3-carboxylic acid is sourced from PubChem (CID 63537357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).