4-(6-formamido-3-pyridinyl)benzoic acid

C13H10N2O3 — CID 177189696

IUPAC4-(6-formamido-3-pyridinyl)benzoic acid
SMILESO=CNc1ccc(-c2ccc(C(=O)O)cc2)cn1
InChIInChI=1S/C13H10N2O3/c16-8-15-12-6-5-11(7-14-12)9-1-3-10(4-2-9)13(17)18/h1-8H,(H,17,18)(H,14,15,16)
InChIKeyRTQTYVKZOPLGQA-UHFFFAOYSA-N
MW242.23 g/mol
LogP2.02
Rot. Bonds4

About 4-(6-formamido-3-pyridinyl)benzoic acid

4-(6-formamido-3-pyridinyl)benzoic acid (PubChem CID 177189696) has the molecular formula C13H10N2O3 and a molecular weight of 242.23 g/mol. Its IUPAC name is 4-(6-formamido-3-pyridinyl)benzoic acid.

Molecular Properties

Compound Name4-(6-formamido-3-pyridinyl)benzoic acid
PubChem CID177189696
Molecular FormulaC13H10N2O3
Molecular Weight242.23 g/mol
Exact Mass242.07
IUPAC Name4-(6-formamido-3-pyridinyl)benzoic acid
SMILESO=CNc1ccc(-c2ccc(C(=O)O)cc2)cn1
InChIInChI=1S/C13H10N2O3/c16-8-15-12-6-5-11(7-14-12)9-1-3-10(4-2-9)13(17)18/h1-8H,(H,17,18)(H,14,15,16)
InChIKeyRTQTYVKZOPLGQA-UHFFFAOYSA-N
XLogP2.02
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.23
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(6-formamido-3-pyridinyl)benzoic acid?
The IUPAC name of 4-(6-formamido-3-pyridinyl)benzoic acid (CID 177189696) is 4-(6-formamido-3-pyridinyl)benzoic acid.
What is the SMILES notation for 4-(6-formamido-3-pyridinyl)benzoic acid?
The canonical SMILES for 4-(6-formamido-3-pyridinyl)benzoic acid is O=CNc1ccc(-c2ccc(C(=O)O)cc2)cn1.
What is the InChIKey of 4-(6-formamido-3-pyridinyl)benzoic acid?
The InChIKey is RTQTYVKZOPLGQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2O3/c16-8-15-12-6-5-11(7-14-12)9-1-3-10(4-2-9)13(17)18/h1-8H,(H,17,18)(H,14,15,16).
What are the key properties of 4-(6-formamido-3-pyridinyl)benzoic acid?
4-(6-formamido-3-pyridinyl)benzoic acid has a molecular weight of 242.23 g/mol, XLogP of 2.02, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-formamido-3-pyridinyl)benzoic acid is sourced from PubChem (CID 177189696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).