4-hydroxy-3-methoxybenzoic acid;pyridine-3-carboxamide

C14H14N2O5 — CID 139199481

IUPAC4-hydroxy-3-methoxybenzoic acid;pyridine-3-carboxamide
SMILESCOc1cc(C(=O)O)ccc1O.NC(=O)c1cccnc1
InChIInChI=1S/C8H8O4.C6H6N2O/c1-12-7-4-5(8(10)11)2-3-6(7)9;7-6(9)5-2-1-3-8-4-5/h2-4,9H,1H3,(H,10,11);1-4H,(H2,7,9)
InChIKeyYRFOTFCKIWTOBM-UHFFFAOYSA-N
MW290.28 g/mol
LogP1.28
Rot. Bonds3

About 4-hydroxy-3-methoxybenzoic acid;pyridine-3-carboxamide

4-hydroxy-3-methoxybenzoic acid;pyridine-3-carboxamide (PubChem CID 139199481) has the molecular formula C14H14N2O5 and a molecular weight of 290.28 g/mol. Its IUPAC name is 4-hydroxy-3-methoxybenzoic acid;pyridine-3-carboxamide.

Molecular Properties

Compound Name4-hydroxy-3-methoxybenzoic acid;pyridine-3-carboxamide
PubChem CID139199481
Molecular FormulaC14H14N2O5
Molecular Weight290.28 g/mol
Exact Mass290.09
IUPAC Name4-hydroxy-3-methoxybenzoic acid;pyridine-3-carboxamide
SMILESCOc1cc(C(=O)O)ccc1O.NC(=O)c1cccnc1
InChIInChI=1S/C8H8O4.C6H6N2O/c1-12-7-4-5(8(10)11)2-3-6(7)9;7-6(9)5-2-1-3-8-4-5/h2-4,9H,1H3,(H,10,11);1-4H,(H2,7,9)
InChIKeyYRFOTFCKIWTOBM-UHFFFAOYSA-N
XLogP1.28
TPSA122.74 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.28
LogP ≤ 51.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

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4-aminobenzoic acid;pyridine-3-carboxamide
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CID 175154223
benzene;pyridine-3-carboxamide
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4-hydroxy-3-methoxybenzoic acid;5-methyl-1H-pyrimidine-2,4-dione;pyrazine-2-carboxylic acid;pyridine-3-carboxylic acid;thiourea
CID 161387052
oxalic acid;pyridine-3-carboxamide
CID 69110411
methane;pyridine-3-carboxamide
CID 19390506
azane;platinum(4+);pyridine-3-carboxamide;dichloride
CID 71548674
4-hydroxy-3-methoxybenzamide;nonane
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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-3-methoxybenzoic acid;pyridine-3-carboxamide?
The IUPAC name of 4-hydroxy-3-methoxybenzoic acid;pyridine-3-carboxamide (CID 139199481) is 4-hydroxy-3-methoxybenzoic acid;pyridine-3-carboxamide.
What is the SMILES notation for 4-hydroxy-3-methoxybenzoic acid;pyridine-3-carboxamide?
The canonical SMILES for 4-hydroxy-3-methoxybenzoic acid;pyridine-3-carboxamide is COc1cc(C(=O)O)ccc1O.NC(=O)c1cccnc1.
What is the InChIKey of 4-hydroxy-3-methoxybenzoic acid;pyridine-3-carboxamide?
The InChIKey is YRFOTFCKIWTOBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8O4.C6H6N2O/c1-12-7-4-5(8(10)11)2-3-6(7)9;7-6(9)5-2-1-3-8-4-5/h2-4,9H,1H3,(H,10,11);1-4H,(H2,7,9).
What are the key properties of 4-hydroxy-3-methoxybenzoic acid;pyridine-3-carboxamide?
4-hydroxy-3-methoxybenzoic acid;pyridine-3-carboxamide has a molecular weight of 290.28 g/mol, XLogP of 1.28, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-3-methoxybenzoic acid;pyridine-3-carboxamide is sourced from PubChem (CID 139199481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).