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

C15H15ClN2O3 — CID 63376781

IUPAC6-chloro-2-[2-(4-methoxyphenyl)ethylamino]pyridine-3-carboxylic acid
SMILESCOc1ccc(CCNc2nc(Cl)ccc2C(=O)O)cc1
InChIInChI=1S/C15H15ClN2O3/c1-21-11-4-2-10(3-5-11)8-9-17-14-12(15(19)20)6-7-13(16)18-14/h2-7H,8-9H2,1H3,(H,17,18)(H,19,20)
InChIKeyPTILJSOMCRNPPR-UHFFFAOYSA-N
MW306.75 g/mol
LogP3.10
Rot. Bonds6

About 6-chloro-2-[2-(4-methoxyphenyl)ethylamino]pyridine-3-carboxylic acid

6-chloro-2-[2-(4-methoxyphenyl)ethylamino]pyridine-3-carboxylic acid (PubChem CID 63376781) has the molecular formula C15H15ClN2O3 and a molecular weight of 306.75 g/mol. Its IUPAC name is 6-chloro-2-[2-(4-methoxyphenyl)ethylamino]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-chloro-2-[2-(4-methoxyphenyl)ethylamino]pyridine-3-carboxylic acid
PubChem CID63376781
Molecular FormulaC15H15ClN2O3
Molecular Weight306.75 g/mol
Exact Mass306.08
IUPAC Name6-chloro-2-[2-(4-methoxyphenyl)ethylamino]pyridine-3-carboxylic acid
SMILESCOc1ccc(CCNc2nc(Cl)ccc2C(=O)O)cc1
InChIInChI=1S/C15H15ClN2O3/c1-21-11-4-2-10(3-5-11)8-9-17-14-12(15(19)20)6-7-13(16)18-14/h2-7H,8-9H2,1H3,(H,17,18)(H,19,20)
InChIKeyPTILJSOMCRNPPR-UHFFFAOYSA-N
XLogP3.10
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.75
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-chloro-2-[2-(3-methylphenyl)ethylamino]pyridine-3-carboxylic acid
CID 63537357
6-chloro-2-[(3-chloro-4-methoxyphenyl)methylamino]pyridine-3-carboxylic acid
CID 22025904
5-chloro-2-[2-(4-methoxyphenyl)ethylamino]pyridine-4-carboxylic acid
CID 114919065
6-chloro-2-[2-(2-hydroxyethoxy)ethylamino]pyridine-3-carboxylic acid
CID 55182902
6-[2-(4-methoxyphenyl)ethylamino]pyridazine-3-carboxylic acid
CID 60791797
6-chloro-N-(4-chlorophenyl)-2-[(4-methoxyphenyl)methylamino]pyridine-3-carboxamide
CID 10201098
4-[2-(4-methoxyphenyl)ethylamino]benzoic acid
CID 62231026
2-[2-(4-methoxyphenyl)ethylamino]-6-methylpyrimidine-4-carboxylic acid
CID 107553220
6-chloro-2-(4-methoxyphenoxy)pyridine-3-carboxylic acid
CID 63376924
2,5-dichloro-N-[2-(4-methoxyphenyl)ethyl]pyrimidin-4-amine
CID 79632889
2-N,3-N-bis[2-(4-methoxyphenyl)ethyl]quinoxaline-2,3-diamine
CID 1023772
3,5-dichloro-6-hydrazinyl-N-[2-(4-methoxyphenyl)ethyl]pyridin-2-amine
CID 102762415

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-[2-(4-methoxyphenyl)ethylamino]pyridine-3-carboxylic acid?
The IUPAC name of 6-chloro-2-[2-(4-methoxyphenyl)ethylamino]pyridine-3-carboxylic acid (CID 63376781) is 6-chloro-2-[2-(4-methoxyphenyl)ethylamino]pyridine-3-carboxylic acid.
What is the SMILES notation for 6-chloro-2-[2-(4-methoxyphenyl)ethylamino]pyridine-3-carboxylic acid?
The canonical SMILES for 6-chloro-2-[2-(4-methoxyphenyl)ethylamino]pyridine-3-carboxylic acid is COc1ccc(CCNc2nc(Cl)ccc2C(=O)O)cc1.
What is the InChIKey of 6-chloro-2-[2-(4-methoxyphenyl)ethylamino]pyridine-3-carboxylic acid?
The InChIKey is PTILJSOMCRNPPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2O3/c1-21-11-4-2-10(3-5-11)8-9-17-14-12(15(19)20)6-7-13(16)18-14/h2-7H,8-9H2,1H3,(H,17,18)(H,19,20).
What are the key properties of 6-chloro-2-[2-(4-methoxyphenyl)ethylamino]pyridine-3-carboxylic acid?
6-chloro-2-[2-(4-methoxyphenyl)ethylamino]pyridine-3-carboxylic acid has a molecular weight of 306.75 g/mol, XLogP of 3.10, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-[2-(4-methoxyphenyl)ethylamino]pyridine-3-carboxylic acid is sourced from PubChem (CID 63376781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).