3-(2-hydrazinylpyrimidin-4-yl)benzoic acid

C11H10N4O2 — CID 127031221

IUPAC3-(2-hydrazinylpyrimidin-4-yl)benzoic acid
SMILESNNc1nccc(-c2cccc(C(=O)O)c2)n1
InChIInChI=1S/C11H10N4O2/c12-15-11-13-5-4-9(14-11)7-2-1-3-8(6-7)10(16)17/h1-6H,12H2,(H,16,17)(H,13,14,15)
InChIKeyLHWFFVMCLCWGED-UHFFFAOYSA-N
MW230.23 g/mol
LogP1.13
Rot. Bonds3

About 3-(2-hydrazinylpyrimidin-4-yl)benzoic acid

3-(2-hydrazinylpyrimidin-4-yl)benzoic acid (PubChem CID 127031221) has the molecular formula C11H10N4O2 and a molecular weight of 230.23 g/mol. Its IUPAC name is 3-(2-hydrazinylpyrimidin-4-yl)benzoic acid.

Molecular Properties

Compound Name3-(2-hydrazinylpyrimidin-4-yl)benzoic acid
PubChem CID127031221
Molecular FormulaC11H10N4O2
Molecular Weight230.23 g/mol
Exact Mass230.08
IUPAC Name3-(2-hydrazinylpyrimidin-4-yl)benzoic acid
SMILESNNc1nccc(-c2cccc(C(=O)O)c2)n1
InChIInChI=1S/C11H10N4O2/c12-15-11-13-5-4-9(14-11)7-2-1-3-8(6-7)10(16)17/h1-6H,12H2,(H,16,17)(H,13,14,15)
InChIKeyLHWFFVMCLCWGED-UHFFFAOYSA-N
XLogP1.13
TPSA101.13 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.23
LogP ≤ 51.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-[4-(4-phenylphenyl)pyrimidin-2-yl]benzoic acid
CID 11523191
3-[2-(4-methylphenyl)pyrimidin-4-yl]benzoic acid
CID 11580141
3-(2-ethylpyrimidin-4-yl)benzoic acid
CID 105485424
3-(6-carbamoyl-2-pyridinyl)benzoic acid
CID 102340613
[4-(3,4-dimethylphenyl)pyrimidin-2-yl]hydrazine
CID 95915885
3-[3-(3-carboxyphenyl)phenyl]benzoic acid
CID 12023925
3-(4,6-diamino-1,3,5-triazin-2-yl)benzoic acid
CID 139724485
3-(4-tert-butylpyrimidin-2-yl)benzoic acid
CID 116900113
[4-(2,3-dihydro-1H-inden-5-yl)pyrimidin-2-yl]hydrazine
CID 116904113
2-[2-[(2-phenyl-1,3-oxazol-4-yl)methylamino]pyrimidin-4-yl]pyridine-4-carboxylic acid
CID 70716417
2-hydrazinylpyridine-4-carboxylic acid
CID 26967246
4-(2-phenylpyrimidin-4-yl)benzoic acid
CID 11637659

Frequently Asked Questions

What is the IUPAC name of 3-(2-hydrazinylpyrimidin-4-yl)benzoic acid?
The IUPAC name of 3-(2-hydrazinylpyrimidin-4-yl)benzoic acid (CID 127031221) is 3-(2-hydrazinylpyrimidin-4-yl)benzoic acid.
What is the SMILES notation for 3-(2-hydrazinylpyrimidin-4-yl)benzoic acid?
The canonical SMILES for 3-(2-hydrazinylpyrimidin-4-yl)benzoic acid is NNc1nccc(-c2cccc(C(=O)O)c2)n1.
What is the InChIKey of 3-(2-hydrazinylpyrimidin-4-yl)benzoic acid?
The InChIKey is LHWFFVMCLCWGED-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N4O2/c12-15-11-13-5-4-9(14-11)7-2-1-3-8(6-7)10(16)17/h1-6H,12H2,(H,16,17)(H,13,14,15).
What are the key properties of 3-(2-hydrazinylpyrimidin-4-yl)benzoic acid?
3-(2-hydrazinylpyrimidin-4-yl)benzoic acid has a molecular weight of 230.23 g/mol, XLogP of 1.13, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-hydrazinylpyrimidin-4-yl)benzoic acid is sourced from PubChem (CID 127031221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).