6-bromo-N-[(4-chlorophenyl)methyl]-1H-indazol-4-amine

C14H11BrClN3 — CID 134134418

IUPAC6-bromo-N-[(4-chlorophenyl)methyl]-1H-indazol-4-amine
SMILESClc1ccc(CNc2cc(Br)cc3[nH]ncc23)cc1
InChIInChI=1S/C14H11BrClN3/c15-10-5-13(12-8-18-19-14(12)6-10)17-7-9-1-3-11(16)4-2-9/h1-6,8,17H,7H2,(H,18,19)
InChIKeyVQIOJVSTSVPSSX-UHFFFAOYSA-N
MW336.62 g/mol
LogP4.59
Rot. Bonds3

About 6-bromo-N-[(4-chlorophenyl)methyl]-1H-indazol-4-amine

6-bromo-N-[(4-chlorophenyl)methyl]-1H-indazol-4-amine (PubChem CID 134134418) has the molecular formula C14H11BrClN3 and a molecular weight of 336.62 g/mol. Its IUPAC name is 6-bromo-N-[(4-chlorophenyl)methyl]-1H-indazol-4-amine.

Molecular Properties

Compound Name6-bromo-N-[(4-chlorophenyl)methyl]-1H-indazol-4-amine
PubChem CID134134418
Molecular FormulaC14H11BrClN3
Molecular Weight336.62 g/mol
Exact Mass334.98
IUPAC Name6-bromo-N-[(4-chlorophenyl)methyl]-1H-indazol-4-amine
SMILESClc1ccc(CNc2cc(Br)cc3[nH]ncc23)cc1
InChIInChI=1S/C14H11BrClN3/c15-10-5-13(12-8-18-19-14(12)6-10)17-7-9-1-3-11(16)4-2-9/h1-6,8,17H,7H2,(H,18,19)
InChIKeyVQIOJVSTSVPSSX-UHFFFAOYSA-N
XLogP4.59
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.62
LogP ≤ 54.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-[(4-chlorophenyl)methyl]-1H-indazol-4-amine?
The IUPAC name of 6-bromo-N-[(4-chlorophenyl)methyl]-1H-indazol-4-amine (CID 134134418) is 6-bromo-N-[(4-chlorophenyl)methyl]-1H-indazol-4-amine.
What is the SMILES notation for 6-bromo-N-[(4-chlorophenyl)methyl]-1H-indazol-4-amine?
The canonical SMILES for 6-bromo-N-[(4-chlorophenyl)methyl]-1H-indazol-4-amine is Clc1ccc(CNc2cc(Br)cc3[nH]ncc23)cc1.
What is the InChIKey of 6-bromo-N-[(4-chlorophenyl)methyl]-1H-indazol-4-amine?
The InChIKey is VQIOJVSTSVPSSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrClN3/c15-10-5-13(12-8-18-19-14(12)6-10)17-7-9-1-3-11(16)4-2-9/h1-6,8,17H,7H2,(H,18,19).
What are the key properties of 6-bromo-N-[(4-chlorophenyl)methyl]-1H-indazol-4-amine?
6-bromo-N-[(4-chlorophenyl)methyl]-1H-indazol-4-amine has a molecular weight of 336.62 g/mol, XLogP of 4.59, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-[(4-chlorophenyl)methyl]-1H-indazol-4-amine is sourced from PubChem (CID 134134418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).