2-(hydrazinecarbonyl)benzoic acid;3-(hydrazinecarbonyl)benzoic acid;4-(hydrazinecarbonyl)benzoic acid;5-(hydrazinecarbonyl)pyridine-2-carboxylic acid;6-(hydrazinecarbonyl)pyridine-3-carboxylic acid

C38H38N12O15 — CID 158397888

IUPAC2-(hydrazinecarbonyl)benzoic acid;3-(hydrazinecarbonyl)benzoic acid;4-(hydrazinecarbonyl)benzoic acid;5-(hydrazinecarbonyl)pyridine-2-carboxylic acid;6-(hydrazinecarbonyl)pyridine-3-carboxylic acid
SMILESNNC(=O)c1ccc(C(=O)O)cc1.NNC(=O)c1ccc(C(=O)O)cn1.NNC(=O)c1ccc(C(=O)O)nc1.NNC(=O)c1cccc(C(=O)O)c1.NNC(=O)c1ccccc1C(=O)O
InChIInChI=1S/3C8H8N2O3.2C7H7N3O3/c9-10-7(11)5-1-3-6(4-2-5)8(12)13;9-10-7(11)5-2-1-3-6(4-5)8(12)13;9-10-7(11)5-3-1-2-4-6(5)8(12)13;8-10-6(11)5-2-1-4(3-9-5)7(12)13;8-10-6(11)4-1-2-5(7(12)13)9-3-4/h3*1-4H,9H2,(H,10,11)(H,12,13);2*1-3H,8H2,(H,10,11)(H,12,13)
InChIKeyGXSVLBLJOQZZEY-UHFFFAOYSA-N
MW902.79 g/mol
LogP-1.27
Rot. Bonds10

About 2-(hydrazinecarbonyl)benzoic acid;3-(hydrazinecarbonyl)benzoic acid;4-(hydrazinecarbonyl)benzoic acid;5-(hydrazinecarbonyl)pyridine-2-carboxylic acid;6-(hydrazinecarbonyl)pyridine-3-carboxylic acid

2-(hydrazinecarbonyl)benzoic acid;3-(hydrazinecarbonyl)benzoic acid;4-(hydrazinecarbonyl)benzoic acid;5-(hydrazinecarbonyl)pyridine-2-carboxylic acid;6-(hydrazinecarbonyl)pyridine-3-carboxylic acid (PubChem CID 158397888) has the molecular formula C38H38N12O15 and a molecular weight of 902.79 g/mol. Its IUPAC name is 2-(hydrazinecarbonyl)benzoic acid;3-(hydrazinecarbonyl)benzoic acid;4-(hydrazinecarbonyl)benzoic acid;5-(hydrazinecarbonyl)pyridine-2-carboxylic acid;6-(hydrazinecarbonyl)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-(hydrazinecarbonyl)benzoic acid;3-(hydrazinecarbonyl)benzoic acid;4-(hydrazinecarbonyl)benzoic acid;5-(hydrazinecarbonyl)pyridine-2-carboxylic acid;6-(hydrazinecarbonyl)pyridine-3-carboxylic acid
PubChem CID158397888
Molecular FormulaC38H38N12O15
Molecular Weight902.79 g/mol
Exact Mass902.26
IUPAC Name2-(hydrazinecarbonyl)benzoic acid;3-(hydrazinecarbonyl)benzoic acid;4-(hydrazinecarbonyl)benzoic acid;5-(hydrazinecarbonyl)pyridine-2-carboxylic acid;6-(hydrazinecarbonyl)pyridine-3-carboxylic acid
SMILESNNC(=O)c1ccc(C(=O)O)cc1.NNC(=O)c1ccc(C(=O)O)cn1.NNC(=O)c1ccc(C(=O)O)nc1.NNC(=O)c1cccc(C(=O)O)c1.NNC(=O)c1ccccc1C(=O)O
InChIInChI=1S/3C8H8N2O3.2C7H7N3O3/c9-10-7(11)5-1-3-6(4-2-5)8(12)13;9-10-7(11)5-2-1-3-6(4-5)8(12)13;9-10-7(11)5-3-1-2-4-6(5)8(12)13;8-10-6(11)5-2-1-4(3-9-5)7(12)13;8-10-6(11)4-1-2-5(7(12)13)9-3-4/h3*1-4H,9H2,(H,10,11)(H,12,13);2*1-3H,8H2,(H,10,11)(H,12,13)
InChIKeyGXSVLBLJOQZZEY-UHFFFAOYSA-N
XLogP-1.27
TPSA487.88 Ų
H-Bond Donors15
H-Bond Acceptors17
Rotatable Bonds10
Heavy Atoms65
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500902.79
LogP ≤ 5-1.27
H-Bond Donors ≤ 515
H-Bond Acceptors ≤ 1017

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

pyridine-2,5-dicarboxylic acid
CID 158970171
5-benzoylpyridine-2-carboxylic acid
CID 165358123
5-[(2,6-dichlorophenyl)carbamoyl]pyridine-2-carboxylic acid
CID 60725320
benzohydrazide;molybdenum
CID 162076561
tris(benzene-1,3-dicarboxylic acid);terephthalic acid
CID 173416793
5-(3-carboxyphenyl)pyridine-2-carboxylic acid
CID 53223177
5-[[3-(benzylcarbamoyl)phenyl]sulfonylcarbamoyl]pyridine-2-carboxylic acid
CID 57079415
pyridine-2-carboxylic acid;pyridine-3-carboxylic acid;pyridine-4-carboxylic acid;pyridine-2,3-dicarboxylic acid;pyridine-2,4-dicarboxylic acid;pyridine-2,5-dicarboxylic acid;pyridine-2,6-dicarboxylic acid
CID 175213000
benzene-1,3-dicarboxylic acid;titanium
CID 87166459
5-[(2,6-difluorophenyl)carbamoyl]pyridine-2-carboxylic acid
CID 43414716
6-[(2-ethylphenyl)methylcarbamoyl]pyridine-3-carboxylic acid
CID 64695374
5-(1-phenylethylcarbamoyl)pyridine-2-carboxylic acid
CID 43414636

Frequently Asked Questions

What is the IUPAC name of 2-(hydrazinecarbonyl)benzoic acid;3-(hydrazinecarbonyl)benzoic acid;4-(hydrazinecarbonyl)benzoic acid;5-(hydrazinecarbonyl)pyridine-2-carboxylic acid;6-(hydrazinecarbonyl)pyridine-3-carboxylic acid?
The IUPAC name of 2-(hydrazinecarbonyl)benzoic acid;3-(hydrazinecarbonyl)benzoic acid;4-(hydrazinecarbonyl)benzoic acid;5-(hydrazinecarbonyl)pyridine-2-carboxylic acid;6-(hydrazinecarbonyl)pyridine-3-carboxylic acid (CID 158397888) is 2-(hydrazinecarbonyl)benzoic acid;3-(hydrazinecarbonyl)benzoic acid;4-(hydrazinecarbonyl)benzoic acid;5-(hydrazinecarbonyl)pyridine-2-carboxylic acid;6-(hydrazinecarbonyl)pyridine-3-carboxylic acid.
What is the SMILES notation for 2-(hydrazinecarbonyl)benzoic acid;3-(hydrazinecarbonyl)benzoic acid;4-(hydrazinecarbonyl)benzoic acid;5-(hydrazinecarbonyl)pyridine-2-carboxylic acid;6-(hydrazinecarbonyl)pyridine-3-carboxylic acid?
The canonical SMILES for 2-(hydrazinecarbonyl)benzoic acid;3-(hydrazinecarbonyl)benzoic acid;4-(hydrazinecarbonyl)benzoic acid;5-(hydrazinecarbonyl)pyridine-2-carboxylic acid;6-(hydrazinecarbonyl)pyridine-3-carboxylic acid is NNC(=O)c1ccc(C(=O)O)cc1.NNC(=O)c1ccc(C(=O)O)cn1.NNC(=O)c1ccc(C(=O)O)nc1.NNC(=O)c1cccc(C(=O)O)c1.NNC(=O)c1ccccc1C(=O)O.
What is the InChIKey of 2-(hydrazinecarbonyl)benzoic acid;3-(hydrazinecarbonyl)benzoic acid;4-(hydrazinecarbonyl)benzoic acid;5-(hydrazinecarbonyl)pyridine-2-carboxylic acid;6-(hydrazinecarbonyl)pyridine-3-carboxylic acid?
The InChIKey is GXSVLBLJOQZZEY-UHFFFAOYSA-N. The full InChI is InChI=1S/3C8H8N2O3.2C7H7N3O3/c9-10-7(11)5-1-3-6(4-2-5)8(12)13;9-10-7(11)5-2-1-3-6(4-5)8(12)13;9-10-7(11)5-3-1-2-4-6(5)8(12)13;8-10-6(11)5-2-1-4(3-9-5)7(12)13;8-10-6(11)4-1-2-5(7(12)13)9-3-4/h3*1-4H,9H2,(H,10,11)(H,12,13);2*1-3H,8H2,(H,10,11)(H,12,13).
What are the key properties of 2-(hydrazinecarbonyl)benzoic acid;3-(hydrazinecarbonyl)benzoic acid;4-(hydrazinecarbonyl)benzoic acid;5-(hydrazinecarbonyl)pyridine-2-carboxylic acid;6-(hydrazinecarbonyl)pyridine-3-carboxylic acid?
2-(hydrazinecarbonyl)benzoic acid;3-(hydrazinecarbonyl)benzoic acid;4-(hydrazinecarbonyl)benzoic acid;5-(hydrazinecarbonyl)pyridine-2-carboxylic acid;6-(hydrazinecarbonyl)pyridine-3-carboxylic acid has a molecular weight of 902.79 g/mol, XLogP of -1.27, 10 rotatable bonds, 15 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hydrazinecarbonyl)benzoic acid;3-(hydrazinecarbonyl)benzoic acid;4-(hydrazinecarbonyl)benzoic acid;5-(hydrazinecarbonyl)pyridine-2-carboxylic acid;6-(hydrazinecarbonyl)pyridine-3-carboxylic acid is sourced from PubChem (CID 158397888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).