5-amino-2-(4-chloro-3-methylphenoxy)pyridine-3-carboxylic acid

C13H11ClN2O3 — CID 114047540

IUPAC5-amino-2-(4-chloro-3-methylphenoxy)pyridine-3-carboxylic acid
SMILESCc1cc(Oc2ncc(N)cc2C(=O)O)ccc1Cl
InChIInChI=1S/C13H11ClN2O3/c1-7-4-9(2-3-11(7)14)19-12-10(13(17)18)5-8(15)6-16-12/h2-6H,15H2,1H3,(H,17,18)
InChIKeyHROQAJVQIMBHTH-UHFFFAOYSA-N
MW278.70 g/mol
LogP3.12
Rot. Bonds3

About 5-amino-2-(4-chloro-3-methylphenoxy)pyridine-3-carboxylic acid

5-amino-2-(4-chloro-3-methylphenoxy)pyridine-3-carboxylic acid (PubChem CID 114047540) has the molecular formula C13H11ClN2O3 and a molecular weight of 278.70 g/mol. Its IUPAC name is 5-amino-2-(4-chloro-3-methylphenoxy)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-amino-2-(4-chloro-3-methylphenoxy)pyridine-3-carboxylic acid
PubChem CID114047540
Molecular FormulaC13H11ClN2O3
Molecular Weight278.70 g/mol
Exact Mass278.05
IUPAC Name5-amino-2-(4-chloro-3-methylphenoxy)pyridine-3-carboxylic acid
SMILESCc1cc(Oc2ncc(N)cc2C(=O)O)ccc1Cl
InChIInChI=1S/C13H11ClN2O3/c1-7-4-9(2-3-11(7)14)19-12-10(13(17)18)5-8(15)6-16-12/h2-6H,15H2,1H3,(H,17,18)
InChIKeyHROQAJVQIMBHTH-UHFFFAOYSA-N
XLogP3.12
TPSA85.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.70
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-amino-2-(3,4-difluorophenoxy)pyridine-3-carboxylic acid
CID 114047617
2-amino-5-(4-chloro-3-methylphenoxy)benzoic acid
CID 60986913
5-fluoro-2-(4-fluoro-3-methylphenoxy)pyridine-3-carboxylic acid
CID 114034145
2-amino-5-[(3,5-dichloro-2-pyridinyl)oxy]benzoic acid
CID 43566444
5-amino-2-(4-methoxyphenoxy)pyridine-3-carboxamide
CID 61358803
2-(3-chloro-4-fluorophenoxy)-5-fluoropyridine-3-carboxylic acid
CID 67367227
3-bromo-2-(4-chloro-3-methylphenoxy)-5-methylpyridine
CID 105368164
6-(4-chloro-3-methylphenoxy)pyrimidine-4-carboxylic acid
CID 116820276
2-chloro-5-[(3-methyl-4-pyridinyl)oxy]benzoic acid
CID 106502871
2-chloro-5-[(5-chloro-3-fluoro-2-pyridinyl)oxy]benzoic acid
CID 106502943
2-(4-chlorophenoxy)-5-fluoropyridine-3-carboxylic acid
CID 67531661
2-chloro-5-(5-chloropyrimidin-4-yl)oxybenzoic acid
CID 106502849

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-(4-chloro-3-methylphenoxy)pyridine-3-carboxylic acid?
The IUPAC name of 5-amino-2-(4-chloro-3-methylphenoxy)pyridine-3-carboxylic acid (CID 114047540) is 5-amino-2-(4-chloro-3-methylphenoxy)pyridine-3-carboxylic acid.
What is the SMILES notation for 5-amino-2-(4-chloro-3-methylphenoxy)pyridine-3-carboxylic acid?
The canonical SMILES for 5-amino-2-(4-chloro-3-methylphenoxy)pyridine-3-carboxylic acid is Cc1cc(Oc2ncc(N)cc2C(=O)O)ccc1Cl.
What is the InChIKey of 5-amino-2-(4-chloro-3-methylphenoxy)pyridine-3-carboxylic acid?
The InChIKey is HROQAJVQIMBHTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClN2O3/c1-7-4-9(2-3-11(7)14)19-12-10(13(17)18)5-8(15)6-16-12/h2-6H,15H2,1H3,(H,17,18).
What are the key properties of 5-amino-2-(4-chloro-3-methylphenoxy)pyridine-3-carboxylic acid?
5-amino-2-(4-chloro-3-methylphenoxy)pyridine-3-carboxylic acid has a molecular weight of 278.70 g/mol, XLogP of 3.12, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-(4-chloro-3-methylphenoxy)pyridine-3-carboxylic acid is sourced from PubChem (CID 114047540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).