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

C15H15ClN2O3 — CID 106261584

IUPAC3-chloro-6-[2-(2-methoxyphenyl)ethylamino]pyridine-2-carboxylic acid
SMILESCOc1ccccc1CCNc1ccc(Cl)c(C(=O)O)n1
InChIInChI=1S/C15H15ClN2O3/c1-21-12-5-3-2-4-10(12)8-9-17-13-7-6-11(16)14(18-13)15(19)20/h2-7H,8-9H2,1H3,(H,17,18)(H,19,20)
InChIKeyDGBLXUSJPRWXEX-UHFFFAOYSA-N
MW306.75 g/mol
LogP3.10
Rot. Bonds6

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

3-chloro-6-[2-(2-methoxyphenyl)ethylamino]pyridine-2-carboxylic acid (PubChem CID 106261584) has the molecular formula C15H15ClN2O3 and a molecular weight of 306.75 g/mol. Its IUPAC name is 3-chloro-6-[2-(2-methoxyphenyl)ethylamino]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name3-chloro-6-[2-(2-methoxyphenyl)ethylamino]pyridine-2-carboxylic acid
PubChem CID106261584
Molecular FormulaC15H15ClN2O3
Molecular Weight306.75 g/mol
Exact Mass306.08
IUPAC Name3-chloro-6-[2-(2-methoxyphenyl)ethylamino]pyridine-2-carboxylic acid
SMILESCOc1ccccc1CCNc1ccc(Cl)c(C(=O)O)n1
InChIInChI=1S/C15H15ClN2O3/c1-21-12-5-3-2-4-10(12)8-9-17-13-7-6-11(16)14(18-13)15(19)20/h2-7H,8-9H2,1H3,(H,17,18)(H,19,20)
InChIKeyDGBLXUSJPRWXEX-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

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Related Compounds

2-chloro-6-[2-(2-methoxyphenyl)ethylamino]benzoic acid
CID 106262540
3-chloro-6-(2-phenylpropylamino)pyridine-2-carboxylic acid
CID 104591662
2-chloro-N-[2-(2-methoxyphenyl)ethyl]-6-methylpyrimidin-4-amine
CID 114165599
4-chloro-N-[2-(2-methoxyphenyl)ethyl]pyridine-3-carboxamide
CID 103867838
N-[6-[2-(2-methoxyphenyl)ethylamino]pyridazin-3-yl]-2-phenoxyacetamide
CID 113042664
N-[6-[2-(2-methoxyphenyl)ethylamino]pyridazin-3-yl]-2-(2-methylphenyl)acetamide
CID 113042675
3-chloro-6-(2-cyano-6-methoxyanilino)pyridine-2-carboxylic acid
CID 107468702
2-[2-(2-methoxyphenyl)ethylamino]-2-methylpropanoic acid
CID 94687146
2,6-dichloro-N-[2-(2-methoxyphenyl)ethyl]benzamide
CID 112766523
2-[[2-(2-methoxyphenyl)ethylamino]methyl]benzoic acid;hydrochloride
CID 17207529
5-chloro-N-[2-(2-methoxyphenyl)ethyl]thiophene-2-carboxamide
CID 17173387
N-(3-chlorophenyl)-6-[2-(2-methoxyphenyl)ethylamino]pyridazine-3-carboxamide
CID 109122239

Frequently Asked Questions

What is the IUPAC name of 3-chloro-6-[2-(2-methoxyphenyl)ethylamino]pyridine-2-carboxylic acid?
The IUPAC name of 3-chloro-6-[2-(2-methoxyphenyl)ethylamino]pyridine-2-carboxylic acid (CID 106261584) is 3-chloro-6-[2-(2-methoxyphenyl)ethylamino]pyridine-2-carboxylic acid.
What is the SMILES notation for 3-chloro-6-[2-(2-methoxyphenyl)ethylamino]pyridine-2-carboxylic acid?
The canonical SMILES for 3-chloro-6-[2-(2-methoxyphenyl)ethylamino]pyridine-2-carboxylic acid is COc1ccccc1CCNc1ccc(Cl)c(C(=O)O)n1.
What is the InChIKey of 3-chloro-6-[2-(2-methoxyphenyl)ethylamino]pyridine-2-carboxylic acid?
The InChIKey is DGBLXUSJPRWXEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2O3/c1-21-12-5-3-2-4-10(12)8-9-17-13-7-6-11(16)14(18-13)15(19)20/h2-7H,8-9H2,1H3,(H,17,18)(H,19,20).
What are the key properties of 3-chloro-6-[2-(2-methoxyphenyl)ethylamino]pyridine-2-carboxylic acid?
3-chloro-6-[2-(2-methoxyphenyl)ethylamino]pyridine-2-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 3-chloro-6-[2-(2-methoxyphenyl)ethylamino]pyridine-2-carboxylic acid is sourced from PubChem (CID 106261584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).