2-chloro-6-(hydrazinecarbonyl)benzoic acid

C8H7ClN2O3 — CID 169146533

IUPAC2-chloro-6-(hydrazinecarbonyl)benzoic acid
SMILESNNC(=O)c1cccc(Cl)c1C(=O)O
InChIInChI=1S/C8H7ClN2O3/c9-5-3-1-2-4(7(12)11-10)6(5)8(13)14/h1-3H,10H2,(H,11,12)(H,13,14)
InChIKeyYGUQRIVZEZXBIK-UHFFFAOYSA-N
MW214.61 g/mol
LogP0.64
Rot. Bonds2

About 2-chloro-6-(hydrazinecarbonyl)benzoic acid

2-chloro-6-(hydrazinecarbonyl)benzoic acid (PubChem CID 169146533) has the molecular formula C8H7ClN2O3 and a molecular weight of 214.61 g/mol. Its IUPAC name is 2-chloro-6-(hydrazinecarbonyl)benzoic acid.

Molecular Properties

Compound Name2-chloro-6-(hydrazinecarbonyl)benzoic acid
PubChem CID169146533
Molecular FormulaC8H7ClN2O3
Molecular Weight214.61 g/mol
Exact Mass214.01
IUPAC Name2-chloro-6-(hydrazinecarbonyl)benzoic acid
SMILESNNC(=O)c1cccc(Cl)c1C(=O)O
InChIInChI=1S/C8H7ClN2O3/c9-5-3-1-2-4(7(12)11-10)6(5)8(13)14/h1-3H,10H2,(H,11,12)(H,13,14)
InChIKeyYGUQRIVZEZXBIK-UHFFFAOYSA-N
XLogP0.64
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.61
LogP ≤ 50.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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

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CID 11251659
CID 11251659
2-chloro-3-hydroxybenzohydrazide
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2-amino-6-chlorobenzohydrazide;ethane
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2-[(2-aminobenzoyl)amino]-6-chlorobenzoic acid
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2,6-dichloro-N'-(2-chlorobenzoyl)benzohydrazide
CID 78774908
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2-chloro-6-(2-chlorophenyl)benzoic acid
CID 53225809
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Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-(hydrazinecarbonyl)benzoic acid?
The IUPAC name of 2-chloro-6-(hydrazinecarbonyl)benzoic acid (CID 169146533) is 2-chloro-6-(hydrazinecarbonyl)benzoic acid.
What is the SMILES notation for 2-chloro-6-(hydrazinecarbonyl)benzoic acid?
The canonical SMILES for 2-chloro-6-(hydrazinecarbonyl)benzoic acid is NNC(=O)c1cccc(Cl)c1C(=O)O.
What is the InChIKey of 2-chloro-6-(hydrazinecarbonyl)benzoic acid?
The InChIKey is YGUQRIVZEZXBIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClN2O3/c9-5-3-1-2-4(7(12)11-10)6(5)8(13)14/h1-3H,10H2,(H,11,12)(H,13,14).
What are the key properties of 2-chloro-6-(hydrazinecarbonyl)benzoic acid?
2-chloro-6-(hydrazinecarbonyl)benzoic acid has a molecular weight of 214.61 g/mol, XLogP of 0.64, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-(hydrazinecarbonyl)benzoic acid is sourced from PubChem (CID 169146533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).