3-chloro-6-(4-propan-2-yloxyanilino)pyridine-2-carboxylic acid

C15H15ClN2O3 — CID 28969994

IUPAC3-chloro-6-(4-propan-2-yloxyanilino)pyridine-2-carboxylic acid
SMILESCC(C)Oc1ccc(Nc2ccc(Cl)c(C(=O)O)n2)cc1
InChIInChI=1S/C15H15ClN2O3/c1-9(2)21-11-5-3-10(4-6-11)17-13-8-7-12(16)14(18-13)15(19)20/h3-9H,1-2H3,(H,17,18)(H,19,20)
InChIKeyDDEJRSQQJLSBEE-UHFFFAOYSA-N
MW306.75 g/mol
LogP3.96
Rot. Bonds5

About 3-chloro-6-(4-propan-2-yloxyanilino)pyridine-2-carboxylic acid

3-chloro-6-(4-propan-2-yloxyanilino)pyridine-2-carboxylic acid (PubChem CID 28969994) has the molecular formula C15H15ClN2O3 and a molecular weight of 306.75 g/mol. Its IUPAC name is 3-chloro-6-(4-propan-2-yloxyanilino)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name3-chloro-6-(4-propan-2-yloxyanilino)pyridine-2-carboxylic acid
PubChem CID28969994
Molecular FormulaC15H15ClN2O3
Molecular Weight306.75 g/mol
Exact Mass306.08
IUPAC Name3-chloro-6-(4-propan-2-yloxyanilino)pyridine-2-carboxylic acid
SMILESCC(C)Oc1ccc(Nc2ccc(Cl)c(C(=O)O)n2)cc1
InChIInChI=1S/C15H15ClN2O3/c1-9(2)21-11-5-3-10(4-6-11)17-13-8-7-12(16)14(18-13)15(19)20/h3-9H,1-2H3,(H,17,18)(H,19,20)
InChIKeyDDEJRSQQJLSBEE-UHFFFAOYSA-N
XLogP3.96
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.75
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-(4-bromo-3-methylanilino)-3-chloropyridine-2-carboxylic acid
CID 29038766
6-(4-propan-2-yloxyanilino)pyrazine-2-carboxylic acid
CID 66456786
3-chloro-6-(2,6-dichloroanilino)pyridine-2-carboxylic acid
CID 65499398
3-chloro-6-(3-fluoro-4-methoxyanilino)pyridine-2-carboxylic acid
CID 43381012
6-(4-bromo-3,5-dimethylanilino)-3-chloropyridine-2-carboxylic acid
CID 107575433
6-(3-bromo-4-iodoanilino)-3-chloropyridine-2-carboxylic acid
CID 114262232
6-(3-bromo-4-fluoroanilino)-3-chloropyridine-2-carboxylic acid
CID 104779776
N-(4-propan-2-yloxyphenyl)quinolin-2-amine
CID 82535846
4-[[6-methyl-2-(4-propan-2-yloxyanilino)pyrimidin-4-yl]amino]benzoic acid
CID 113194360
4-N-(4-chlorophenyl)-2-methyl-6-N-(4-propan-2-yloxyphenyl)pyrimidine-4,6-diamine
CID 112878027
2-N-(2,6-dichlorophenyl)-4-N-(4-propan-2-yloxyphenyl)pyrimidine-2,4-diamine
CID 112905213
N-(4-chlorophenyl)-4-propan-2-yloxyaniline
CID 82535862

Frequently Asked Questions

What is the IUPAC name of 3-chloro-6-(4-propan-2-yloxyanilino)pyridine-2-carboxylic acid?
The IUPAC name of 3-chloro-6-(4-propan-2-yloxyanilino)pyridine-2-carboxylic acid (CID 28969994) is 3-chloro-6-(4-propan-2-yloxyanilino)pyridine-2-carboxylic acid.
What is the SMILES notation for 3-chloro-6-(4-propan-2-yloxyanilino)pyridine-2-carboxylic acid?
The canonical SMILES for 3-chloro-6-(4-propan-2-yloxyanilino)pyridine-2-carboxylic acid is CC(C)Oc1ccc(Nc2ccc(Cl)c(C(=O)O)n2)cc1.
What is the InChIKey of 3-chloro-6-(4-propan-2-yloxyanilino)pyridine-2-carboxylic acid?
The InChIKey is DDEJRSQQJLSBEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2O3/c1-9(2)21-11-5-3-10(4-6-11)17-13-8-7-12(16)14(18-13)15(19)20/h3-9H,1-2H3,(H,17,18)(H,19,20).
What are the key properties of 3-chloro-6-(4-propan-2-yloxyanilino)pyridine-2-carboxylic acid?
3-chloro-6-(4-propan-2-yloxyanilino)pyridine-2-carboxylic acid has a molecular weight of 306.75 g/mol, XLogP of 3.96, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-6-(4-propan-2-yloxyanilino)pyridine-2-carboxylic acid is sourced from PubChem (CID 28969994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).