7-chloro-2-methylindazol-6-amine

C8H8ClN3 — CID 86100986

IUPAC7-chloro-2-methylindazol-6-amine
SMILESCn1cc2ccc(N)c(Cl)c2n1
InChIInChI=1S/C8H8ClN3/c1-12-4-5-2-3-6(10)7(9)8(5)11-12/h2-4H,10H2,1H3
InChIKeyHPQHSRFXMOHRLH-UHFFFAOYSA-N
MW181.63 g/mol
LogP1.81
Rot. Bonds

About 7-chloro-2-methylindazol-6-amine

7-chloro-2-methylindazol-6-amine (PubChem CID 86100986) has the molecular formula C8H8ClN3 and a molecular weight of 181.63 g/mol. Its IUPAC name is 7-chloro-2-methylindazol-6-amine.

Molecular Properties

Compound Name7-chloro-2-methylindazol-6-amine
PubChem CID86100986
Molecular FormulaC8H8ClN3
Molecular Weight181.63 g/mol
Exact Mass181.04
IUPAC Name7-chloro-2-methylindazol-6-amine
SMILESCn1cc2ccc(N)c(Cl)c2n1
InChIInChI=1S/C8H8ClN3/c1-12-4-5-2-3-6(10)7(9)8(5)11-12/h2-4H,10H2,1H3
InChIKeyHPQHSRFXMOHRLH-UHFFFAOYSA-N
XLogP1.81
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.63
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-chloro-7-fluoro-2-methylindazole
CID 171662432
2-methylpyrazolo[3,4-c]pyridin-7-amine
CID 130019299
ethane;2,6,7-trimethylindazole
CID 156845180
3-chloro-2-fluoro-4-(2-methylindazol-6-yl)oxyaniline
CID 166543988
3-chloro-1-methylpyrazol-4-amine;hydrochloride
CID 154814564
2,7-dimethyl-6-propan-2-ylindazole
CID 168725075
7-bromo-6-fluoro-2-methylindazole
CID 83382772
2-methyl-9H-pyrazolo[4,3-h][2,3]benzoxazin-6-amine
CID 122534931
7-bromo-2-methylindazole;ethane
CID 155591280
ethane;2-methylindazol-6-amine
CID 178017314
5-chloro-2,7-dimethylpyrazolo[3,4-c]pyridine
CID 162432890
2-methylindazol-6-amine;dihydrochloride
CID 19354431

Frequently Asked Questions

What is the IUPAC name of 7-chloro-2-methylindazol-6-amine?
The IUPAC name of 7-chloro-2-methylindazol-6-amine (CID 86100986) is 7-chloro-2-methylindazol-6-amine.
What is the SMILES notation for 7-chloro-2-methylindazol-6-amine?
The canonical SMILES for 7-chloro-2-methylindazol-6-amine is Cn1cc2ccc(N)c(Cl)c2n1.
What is the InChIKey of 7-chloro-2-methylindazol-6-amine?
The InChIKey is HPQHSRFXMOHRLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClN3/c1-12-4-5-2-3-6(10)7(9)8(5)11-12/h2-4H,10H2,1H3.
What are the key properties of 7-chloro-2-methylindazol-6-amine?
7-chloro-2-methylindazol-6-amine has a molecular weight of 181.63 g/mol, XLogP of 1.81, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-2-methylindazol-6-amine is sourced from PubChem (CID 86100986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).