3-(3-chlorophenyl)-1H-indazol-6-amine

C13H10ClN3 — CID 39218524

IUPAC3-(3-chlorophenyl)-1H-indazol-6-amine
SMILESNc1ccc2c(-c3cccc(Cl)c3)n[nH]c2c1
InChIInChI=1S/C13H10ClN3/c14-9-3-1-2-8(6-9)13-11-5-4-10(15)7-12(11)16-17-13/h1-7H,15H2,(H,16,17)
InChIKeyLDCSUHCIRCOKNE-UHFFFAOYSA-N
MW243.70 g/mol
LogP3.47
Rot. Bonds1

About 3-(3-chlorophenyl)-1H-indazol-6-amine

3-(3-chlorophenyl)-1H-indazol-6-amine (PubChem CID 39218524) has the molecular formula C13H10ClN3 and a molecular weight of 243.70 g/mol. Its IUPAC name is 3-(3-chlorophenyl)-1H-indazol-6-amine.

Molecular Properties

Compound Name3-(3-chlorophenyl)-1H-indazol-6-amine
PubChem CID39218524
Molecular FormulaC13H10ClN3
Molecular Weight243.70 g/mol
Exact Mass243.06
IUPAC Name3-(3-chlorophenyl)-1H-indazol-6-amine
SMILESNc1ccc2c(-c3cccc(Cl)c3)n[nH]c2c1
InChIInChI=1S/C13H10ClN3/c14-9-3-1-2-8(6-9)13-11-5-4-10(15)7-12(11)16-17-13/h1-7H,15H2,(H,16,17)
InChIKeyLDCSUHCIRCOKNE-UHFFFAOYSA-N
XLogP3.47
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.70
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-phenyl-1H-indazol-6-amine
CID 18616705
6-(3-chlorophenyl)-3-(4-fluoro-3-methylphenyl)-1H-indazole
CID 163234729
3-(3-chlorophenyl)-5-methyl-1H-pyrazol-4-amine
CID 46167948
3-(3-chlorophenyl)-6-(2-fluorophenoxy)-1H-indazole
CID 11186810
3-(1,2-oxazol-4-yl)-1H-indazol-6-amine
CID 96620321
3-(3-chlorophenyl)aniline;hydrochloride
CID 2757424
4-(3-chlorophenyl)-3-fluoroaniline
CID 65435411
6-(3-chlorophenyl)naphthalen-2-amine
CID 172868696
4-(3-aminophenyl)-2H-phthalazin-1-one;hydrochloride
CID 157040138
6-chloro-3-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]-1H-indazole
CID 71694716
4-(6-chloro-1H-indazol-3-yl)benzaldehyde
CID 155424829
6-chloro-4-phenyl-2H-phthalazin-1-one
CID 134109277

Frequently Asked Questions

What is the IUPAC name of 3-(3-chlorophenyl)-1H-indazol-6-amine?
The IUPAC name of 3-(3-chlorophenyl)-1H-indazol-6-amine (CID 39218524) is 3-(3-chlorophenyl)-1H-indazol-6-amine.
What is the SMILES notation for 3-(3-chlorophenyl)-1H-indazol-6-amine?
The canonical SMILES for 3-(3-chlorophenyl)-1H-indazol-6-amine is Nc1ccc2c(-c3cccc(Cl)c3)n[nH]c2c1.
What is the InChIKey of 3-(3-chlorophenyl)-1H-indazol-6-amine?
The InChIKey is LDCSUHCIRCOKNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClN3/c14-9-3-1-2-8(6-9)13-11-5-4-10(15)7-12(11)16-17-13/h1-7H,15H2,(H,16,17).
What are the key properties of 3-(3-chlorophenyl)-1H-indazol-6-amine?
3-(3-chlorophenyl)-1H-indazol-6-amine has a molecular weight of 243.70 g/mol, XLogP of 3.47, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chlorophenyl)-1H-indazol-6-amine is sourced from PubChem (CID 39218524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).