7-chloro-4-methyl-9H-carbazol-2-amine

C13H11ClN2 — CID 174859290

IUPAC7-chloro-4-methyl-9H-carbazol-2-amine
SMILESCc1cc(N)cc2[nH]c3cc(Cl)ccc3c12
InChIInChI=1S/C13H11ClN2/c1-7-4-9(15)6-12-13(7)10-3-2-8(14)5-11(10)16-12/h2-6,16H,15H2,1H3
InChIKeyBJUPPYPSYGSJQM-UHFFFAOYSA-N
MW230.70 g/mol
LogP3.87
Rot. Bonds

About 7-chloro-4-methyl-9H-carbazol-2-amine

7-chloro-4-methyl-9H-carbazol-2-amine (PubChem CID 174859290) has the molecular formula C13H11ClN2 and a molecular weight of 230.70 g/mol. Its IUPAC name is 7-chloro-4-methyl-9H-carbazol-2-amine.

Molecular Properties

Compound Name7-chloro-4-methyl-9H-carbazol-2-amine
PubChem CID174859290
Molecular FormulaC13H11ClN2
Molecular Weight230.70 g/mol
Exact Mass230.06
IUPAC Name7-chloro-4-methyl-9H-carbazol-2-amine
SMILESCc1cc(N)cc2[nH]c3cc(Cl)ccc3c12
InChIInChI=1S/C13H11ClN2/c1-7-4-9(15)6-12-13(7)10-3-2-8(14)5-11(10)16-12/h2-6,16H,15H2,1H3
InChIKeyBJUPPYPSYGSJQM-UHFFFAOYSA-N
XLogP3.87
TPSA41.81 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.70
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 7-chloro-4-methyl-9H-carbazol-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-chloro-4-methyl-9H-carbazol-2-amine?
The IUPAC name of 7-chloro-4-methyl-9H-carbazol-2-amine (CID 174859290) is 7-chloro-4-methyl-9H-carbazol-2-amine.
What is the SMILES notation for 7-chloro-4-methyl-9H-carbazol-2-amine?
The canonical SMILES for 7-chloro-4-methyl-9H-carbazol-2-amine is Cc1cc(N)cc2[nH]c3cc(Cl)ccc3c12.
What is the InChIKey of 7-chloro-4-methyl-9H-carbazol-2-amine?
The InChIKey is BJUPPYPSYGSJQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClN2/c1-7-4-9(15)6-12-13(7)10-3-2-8(14)5-11(10)16-12/h2-6,16H,15H2,1H3.
What are the key properties of 7-chloro-4-methyl-9H-carbazol-2-amine?
7-chloro-4-methyl-9H-carbazol-2-amine has a molecular weight of 230.70 g/mol, XLogP of 3.87, 0 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-4-methyl-9H-carbazol-2-amine is sourced from PubChem (CID 174859290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).