4-hydroxybenzoic acid;pyridine-3-carboxamide

C13H12N2O4 — CID 91936866

IUPAC4-hydroxybenzoic acid;pyridine-3-carboxamide
SMILESNC(=O)c1cccnc1.O=C(O)c1ccc(O)cc1
InChIInChI=1S/C7H6O3.C6H6N2O/c8-6-3-1-5(2-4-6)7(9)10;7-6(9)5-2-1-3-8-4-5/h1-4,8H,(H,9,10);1-4H,(H2,7,9)
InChIKeyZTOJOQVYMATCDU-UHFFFAOYSA-N
MW260.25 g/mol
LogP1.27
Rot. Bonds2

About 4-hydroxybenzoic acid;pyridine-3-carboxamide

4-hydroxybenzoic acid;pyridine-3-carboxamide (PubChem CID 91936866) has the molecular formula C13H12N2O4 and a molecular weight of 260.25 g/mol. Its IUPAC name is 4-hydroxybenzoic acid;pyridine-3-carboxamide.

Molecular Properties

Compound Name4-hydroxybenzoic acid;pyridine-3-carboxamide
PubChem CID91936866
Molecular FormulaC13H12N2O4
Molecular Weight260.25 g/mol
Exact Mass260.08
IUPAC Name4-hydroxybenzoic acid;pyridine-3-carboxamide
SMILESNC(=O)c1cccnc1.O=C(O)c1ccc(O)cc1
InChIInChI=1S/C7H6O3.C6H6N2O/c8-6-3-1-5(2-4-6)7(9)10;7-6(9)5-2-1-3-8-4-5/h1-4,8H,(H,9,10);1-4H,(H2,7,9)
InChIKeyZTOJOQVYMATCDU-UHFFFAOYSA-N
XLogP1.27
TPSA113.51 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.25
LogP ≤ 51.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

CID 135400468
CID 135400468
CID 5920835
CID 5920835
CID 6862721
CID 6862721
CID 19564789
CID 19564789
CID 135488764
CID 135488764
CID 6020915
CID 6020915
CID 201533
CID 201533
CID 36317
CID 36317
CID 3043417
CID 3043417
CID 135483803
CID 135483803
CID 135909516
CID 135909516
CID 44368886
CID 44368886

Frequently Asked Questions

What is the IUPAC name of 4-hydroxybenzoic acid;pyridine-3-carboxamide?
The IUPAC name of 4-hydroxybenzoic acid;pyridine-3-carboxamide (CID 91936866) is 4-hydroxybenzoic acid;pyridine-3-carboxamide.
What is the SMILES notation for 4-hydroxybenzoic acid;pyridine-3-carboxamide?
The canonical SMILES for 4-hydroxybenzoic acid;pyridine-3-carboxamide is NC(=O)c1cccnc1.O=C(O)c1ccc(O)cc1.
What is the InChIKey of 4-hydroxybenzoic acid;pyridine-3-carboxamide?
The InChIKey is ZTOJOQVYMATCDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6O3.C6H6N2O/c8-6-3-1-5(2-4-6)7(9)10;7-6(9)5-2-1-3-8-4-5/h1-4,8H,(H,9,10);1-4H,(H2,7,9).
What are the key properties of 4-hydroxybenzoic acid;pyridine-3-carboxamide?
4-hydroxybenzoic acid;pyridine-3-carboxamide has a molecular weight of 260.25 g/mol, XLogP of 1.27, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxybenzoic acid;pyridine-3-carboxamide is sourced from PubChem (CID 91936866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).