5-amino-3-chloro-2-(4-chloropyrazol-1-yl)benzoic acid

C10H7Cl2N3O2 — CID 107197071

IUPAC5-amino-3-chloro-2-(4-chloropyrazol-1-yl)benzoic acid
SMILESNc1cc(Cl)c(-n2cc(Cl)cn2)c(C(=O)O)c1
InChIInChI=1S/C10H7Cl2N3O2/c11-5-3-14-15(4-5)9-7(10(16)17)1-6(13)2-8(9)12/h1-4H,13H2,(H,16,17)
InChIKeyVYUNXQRBPBUGAX-UHFFFAOYSA-N
MW272.09 g/mol
LogP2.46
Rot. Bonds2

About 5-amino-3-chloro-2-(4-chloropyrazol-1-yl)benzoic acid

5-amino-3-chloro-2-(4-chloropyrazol-1-yl)benzoic acid (PubChem CID 107197071) has the molecular formula C10H7Cl2N3O2 and a molecular weight of 272.09 g/mol. Its IUPAC name is 5-amino-3-chloro-2-(4-chloropyrazol-1-yl)benzoic acid.

Molecular Properties

Compound Name5-amino-3-chloro-2-(4-chloropyrazol-1-yl)benzoic acid
PubChem CID107197071
Molecular FormulaC10H7Cl2N3O2
Molecular Weight272.09 g/mol
Exact Mass270.99
IUPAC Name5-amino-3-chloro-2-(4-chloropyrazol-1-yl)benzoic acid
SMILESNc1cc(Cl)c(-n2cc(Cl)cn2)c(C(=O)O)c1
InChIInChI=1S/C10H7Cl2N3O2/c11-5-3-14-15(4-5)9-7(10(16)17)1-6(13)2-8(9)12/h1-4H,13H2,(H,16,17)
InChIKeyVYUNXQRBPBUGAX-UHFFFAOYSA-N
XLogP2.46
TPSA81.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.09
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

5-amino-3-chloro-2-[4-(trifluoromethyl)pyrazol-1-yl]benzoic acid
CID 107197120
methyl 5-amino-3-chloro-2-(4-iodopyrazol-1-yl)benzoate
CID 107197122
ethyl 5-amino-2-(4-bromopyrazol-1-yl)-3-chlorobenzoate
CID 107197073
ethyl 5-amino-2-(4-carbamoylpyrazol-1-yl)-3-chlorobenzoate
CID 107197136
5-amino-2-(4-chloropyrazol-1-yl)benzamide
CID 61311509
3,5-dichloro-4-(4-methylpyrazol-1-yl)aniline
CID 106890907
2-bromo-4-(4-chloropyrazol-1-yl)benzoic acid
CID 107282391
5-amino-3-chloro-2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)benzoic acid
CID 107195778
5-amino-3-chloro-2-(3,3-dimethylpyrrolidin-1-yl)benzoic acid
CID 107196307
5-(4-chloropyrazol-1-yl)pyridine-3-carboxylic acid
CID 84688788
5-amino-3-chloro-2-(2-propylimidazol-1-yl)benzoic acid
CID 107197117
1-(4-chloropyrazol-1-yl)isoquinoline-4-carboxylic acid
CID 106765727

Frequently Asked Questions

What is the IUPAC name of 5-amino-3-chloro-2-(4-chloropyrazol-1-yl)benzoic acid?
The IUPAC name of 5-amino-3-chloro-2-(4-chloropyrazol-1-yl)benzoic acid (CID 107197071) is 5-amino-3-chloro-2-(4-chloropyrazol-1-yl)benzoic acid.
What is the SMILES notation for 5-amino-3-chloro-2-(4-chloropyrazol-1-yl)benzoic acid?
The canonical SMILES for 5-amino-3-chloro-2-(4-chloropyrazol-1-yl)benzoic acid is Nc1cc(Cl)c(-n2cc(Cl)cn2)c(C(=O)O)c1.
What is the InChIKey of 5-amino-3-chloro-2-(4-chloropyrazol-1-yl)benzoic acid?
The InChIKey is VYUNXQRBPBUGAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7Cl2N3O2/c11-5-3-14-15(4-5)9-7(10(16)17)1-6(13)2-8(9)12/h1-4H,13H2,(H,16,17).
What are the key properties of 5-amino-3-chloro-2-(4-chloropyrazol-1-yl)benzoic acid?
5-amino-3-chloro-2-(4-chloropyrazol-1-yl)benzoic acid has a molecular weight of 272.09 g/mol, XLogP of 2.46, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-chloro-2-(4-chloropyrazol-1-yl)benzoic acid is sourced from PubChem (CID 107197071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).