4-(6-amino-2-methyl-3-pyridinyl)benzoic acid;hydrochloride

C13H13ClN2O2 — CID 70295713

IUPAC4-(6-amino-2-methyl-3-pyridinyl)benzoic acid;hydrochloride
SMILESCc1nc(N)ccc1-c1ccc(C(=O)O)cc1.Cl
InChIInChI=1S/C13H12N2O2.ClH/c1-8-11(6-7-12(14)15-8)9-2-4-10(5-3-9)13(16)17;/h2-7H,1H3,(H2,14,15)(H,16,17);1H
InChIKeySIEBEOPDABIDFG-UHFFFAOYSA-N
MW264.71 g/mol
LogP2.76
Rot. Bonds2

About 4-(6-amino-2-methyl-3-pyridinyl)benzoic acid;hydrochloride

4-(6-amino-2-methyl-3-pyridinyl)benzoic acid;hydrochloride (PubChem CID 70295713) has the molecular formula C13H13ClN2O2 and a molecular weight of 264.71 g/mol. Its IUPAC name is 4-(6-amino-2-methyl-3-pyridinyl)benzoic acid;hydrochloride.

Molecular Properties

Compound Name4-(6-amino-2-methyl-3-pyridinyl)benzoic acid;hydrochloride
PubChem CID70295713
Molecular FormulaC13H13ClN2O2
Molecular Weight264.71 g/mol
Exact Mass264.07
IUPAC Name4-(6-amino-2-methyl-3-pyridinyl)benzoic acid;hydrochloride
SMILESCc1nc(N)ccc1-c1ccc(C(=O)O)cc1.Cl
InChIInChI=1S/C13H12N2O2.ClH/c1-8-11(6-7-12(14)15-8)9-2-4-10(5-3-9)13(16)17;/h2-7H,1H3,(H2,14,15)(H,16,17);1H
InChIKeySIEBEOPDABIDFG-UHFFFAOYSA-N
XLogP2.76
TPSA76.21 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.71
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(6-amino-2-methyl-3-pyridinyl)benzoic acid;hydrochloride?
The IUPAC name of 4-(6-amino-2-methyl-3-pyridinyl)benzoic acid;hydrochloride (CID 70295713) is 4-(6-amino-2-methyl-3-pyridinyl)benzoic acid;hydrochloride.
What is the SMILES notation for 4-(6-amino-2-methyl-3-pyridinyl)benzoic acid;hydrochloride?
The canonical SMILES for 4-(6-amino-2-methyl-3-pyridinyl)benzoic acid;hydrochloride is Cc1nc(N)ccc1-c1ccc(C(=O)O)cc1.Cl.
What is the InChIKey of 4-(6-amino-2-methyl-3-pyridinyl)benzoic acid;hydrochloride?
The InChIKey is SIEBEOPDABIDFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O2.ClH/c1-8-11(6-7-12(14)15-8)9-2-4-10(5-3-9)13(16)17;/h2-7H,1H3,(H2,14,15)(H,16,17);1H.
What are the key properties of 4-(6-amino-2-methyl-3-pyridinyl)benzoic acid;hydrochloride?
4-(6-amino-2-methyl-3-pyridinyl)benzoic acid;hydrochloride has a molecular weight of 264.71 g/mol, XLogP of 2.76, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-amino-2-methyl-3-pyridinyl)benzoic acid;hydrochloride is sourced from PubChem (CID 70295713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).