6-bromo-N-[(2-nitrophenyl)methyl]-1H-indazol-4-amine

C14H11BrN4O2 — CID 141486694

IUPAC6-bromo-N-[(2-nitrophenyl)methyl]-1H-indazol-4-amine
SMILESO=[N+]([O-])c1ccccc1CNc1cc(Br)cc2[nH]ncc12
InChIInChI=1S/C14H11BrN4O2/c15-10-5-12(11-8-17-18-13(11)6-10)16-7-9-3-1-2-4-14(9)19(20)21/h1-6,8,16H,7H2,(H,17,18)
InChIKeyNMEMXQPAMKMVJY-UHFFFAOYSA-N
MW347.17 g/mol
LogP3.85
Rot. Bonds4

About 6-bromo-N-[(2-nitrophenyl)methyl]-1H-indazol-4-amine

6-bromo-N-[(2-nitrophenyl)methyl]-1H-indazol-4-amine (PubChem CID 141486694) has the molecular formula C14H11BrN4O2 and a molecular weight of 347.17 g/mol. Its IUPAC name is 6-bromo-N-[(2-nitrophenyl)methyl]-1H-indazol-4-amine.

Molecular Properties

Compound Name6-bromo-N-[(2-nitrophenyl)methyl]-1H-indazol-4-amine
PubChem CID141486694
Molecular FormulaC14H11BrN4O2
Molecular Weight347.17 g/mol
Exact Mass346.01
IUPAC Name6-bromo-N-[(2-nitrophenyl)methyl]-1H-indazol-4-amine
SMILESO=[N+]([O-])c1ccccc1CNc1cc(Br)cc2[nH]ncc12
InChIInChI=1S/C14H11BrN4O2/c15-10-5-12(11-8-17-18-13(11)6-10)16-7-9-3-1-2-4-14(9)19(20)21/h1-6,8,16H,7H2,(H,17,18)
InChIKeyNMEMXQPAMKMVJY-UHFFFAOYSA-N
XLogP3.85
TPSA83.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.17
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

6-bromanyl-~{N}-[[(1~{S},2~{S})-2-chloranylcyclohexyl]methyl]-1~{H}-indazol-4-amine
CID 156009089
1-[(4-bromophenyl)methyl]-3-1H-indazol-4-ylurea
CID 22032601
N-(2,1,3-benzoxadiazol-4-ylmethyl)-6-bromo-1H-indazol-4-amine
CID 146669430
Tdo-IN-1
CID 165412459
6-bromo-N-(cyclohexylmethyl)-1H-indazol-4-amine
CID 168298182
N-[4-[[(6-bromo-1H-indazol-4-yl)amino]methyl]cyclohexylidene]hydroxylamine
CID 168299129
N-[[(1S,2R)-2-aminocyclohexyl]methyl]-6-bromo-1H-indazol-4-amine
CID 168299175
N-[[(1S,2S)-2-aminocyclohexyl]methyl]-6-bromo-1H-indazol-4-amine
CID 168299179
6-bromo-N-[(4-nitrophenyl)methyl]-1H-indazol-4-amine
CID 130335527
N-[(3-nitrophenyl)methyl]-6-(trifluoromethyl)-1H-indazol-4-amine
CID 130335540
6-bromo-4-nitro-1H-indazole
CID 24728059
N-[(4-bromo-5-fluoro-2-nitrophenyl)methyl]-6-(trifluoromethyl)-1H-indazol-4-amine
CID 168279512

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-[(2-nitrophenyl)methyl]-1H-indazol-4-amine?
The IUPAC name of 6-bromo-N-[(2-nitrophenyl)methyl]-1H-indazol-4-amine (CID 141486694) is 6-bromo-N-[(2-nitrophenyl)methyl]-1H-indazol-4-amine.
What is the SMILES notation for 6-bromo-N-[(2-nitrophenyl)methyl]-1H-indazol-4-amine?
The canonical SMILES for 6-bromo-N-[(2-nitrophenyl)methyl]-1H-indazol-4-amine is O=[N+]([O-])c1ccccc1CNc1cc(Br)cc2[nH]ncc12.
What is the InChIKey of 6-bromo-N-[(2-nitrophenyl)methyl]-1H-indazol-4-amine?
The InChIKey is NMEMXQPAMKMVJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrN4O2/c15-10-5-12(11-8-17-18-13(11)6-10)16-7-9-3-1-2-4-14(9)19(20)21/h1-6,8,16H,7H2,(H,17,18).
What are the key properties of 6-bromo-N-[(2-nitrophenyl)methyl]-1H-indazol-4-amine?
6-bromo-N-[(2-nitrophenyl)methyl]-1H-indazol-4-amine has a molecular weight of 347.17 g/mol, XLogP of 3.85, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-[(2-nitrophenyl)methyl]-1H-indazol-4-amine is sourced from PubChem (CID 141486694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).