2-hydroxybenzoic acid;N-methylpyridin-3-amine

C13H14N2O3 — CID 3081129

IUPAC2-hydroxybenzoic acid;N-methylpyridin-3-amine
SMILESCNc1cccnc1.O=C(O)c1ccccc1O
InChIInChI=1S/C7H6O3.C6H8N2/c8-6-4-2-1-3-5(6)7(9)10;1-7-6-3-2-4-8-5-6/h1-4,8H,(H,9,10);2-5,7H,1H3
InChIKeyQSCGZGTURYUXON-UHFFFAOYSA-N
MW246.27 g/mol
LogP2.21
Rot. Bonds2

About 2-hydroxybenzoic acid;N-methylpyridin-3-amine

2-hydroxybenzoic acid;N-methylpyridin-3-amine (PubChem CID 3081129) has the molecular formula C13H14N2O3 and a molecular weight of 246.27 g/mol. Its IUPAC name is 2-hydroxybenzoic acid;N-methylpyridin-3-amine.

Molecular Properties

Compound Name2-hydroxybenzoic acid;N-methylpyridin-3-amine
PubChem CID3081129
Molecular FormulaC13H14N2O3
Molecular Weight246.27 g/mol
Exact Mass246.10
IUPAC Name2-hydroxybenzoic acid;N-methylpyridin-3-amine
SMILESCNc1cccnc1.O=C(O)c1ccccc1O
InChIInChI=1S/C7H6O3.C6H8N2/c8-6-4-2-1-3-5(6)7(9)10;1-7-6-3-2-4-8-5-6/h1-4,8H,(H,9,10);2-5,7H,1H3
InChIKeyQSCGZGTURYUXON-UHFFFAOYSA-N
XLogP2.21
TPSA82.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 52.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxybenzoic acid;N-methylpyridin-3-amine?
The IUPAC name of 2-hydroxybenzoic acid;N-methylpyridin-3-amine (CID 3081129) is 2-hydroxybenzoic acid;N-methylpyridin-3-amine.
What is the SMILES notation for 2-hydroxybenzoic acid;N-methylpyridin-3-amine?
The canonical SMILES for 2-hydroxybenzoic acid;N-methylpyridin-3-amine is CNc1cccnc1.O=C(O)c1ccccc1O.
What is the InChIKey of 2-hydroxybenzoic acid;N-methylpyridin-3-amine?
The InChIKey is QSCGZGTURYUXON-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6O3.C6H8N2/c8-6-4-2-1-3-5(6)7(9)10;1-7-6-3-2-4-8-5-6/h1-4,8H,(H,9,10);2-5,7H,1H3.
What are the key properties of 2-hydroxybenzoic acid;N-methylpyridin-3-amine?
2-hydroxybenzoic acid;N-methylpyridin-3-amine has a molecular weight of 246.27 g/mol, XLogP of 2.21, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxybenzoic acid;N-methylpyridin-3-amine is sourced from PubChem (CID 3081129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).