(3-bromo-2-fluorophenyl)-(2H-triazol-4-yl)methanamine

C9H8BrFN4 — CID 106645940

IUPAC(3-bromo-2-fluorophenyl)-(2H-triazol-4-yl)methanamine
SMILESNC(c1cn[nH]n1)c1cccc(Br)c1F
InChIInChI=1S/C9H8BrFN4/c10-6-3-1-2-5(8(6)11)9(12)7-4-13-15-14-7/h1-4,9H,12H2,(H,13,14,15)
InChIKeyCCNOXRMEKYRBMN-UHFFFAOYSA-N
MW271.09 g/mol
LogP1.75
Rot. Bonds2

About (3-bromo-2-fluorophenyl)-(2H-triazol-4-yl)methanamine

(3-bromo-2-fluorophenyl)-(2H-triazol-4-yl)methanamine (PubChem CID 106645940) has the molecular formula C9H8BrFN4 and a molecular weight of 271.09 g/mol. Its IUPAC name is (3-bromo-2-fluorophenyl)-(2H-triazol-4-yl)methanamine.

Molecular Properties

Compound Name(3-bromo-2-fluorophenyl)-(2H-triazol-4-yl)methanamine
PubChem CID106645940
Molecular FormulaC9H8BrFN4
Molecular Weight271.09 g/mol
Exact Mass269.99
IUPAC Name(3-bromo-2-fluorophenyl)-(2H-triazol-4-yl)methanamine
SMILESNC(c1cn[nH]n1)c1cccc(Br)c1F
InChIInChI=1S/C9H8BrFN4/c10-6-3-1-2-5(8(6)11)9(12)7-4-13-15-14-7/h1-4,9H,12H2,(H,13,14,15)
InChIKeyCCNOXRMEKYRBMN-UHFFFAOYSA-N
XLogP1.75
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.09
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3-bromo-2-fluorophenyl)-pyrimidin-5-ylmethanamine
CID 106647995
(3-bromo-2-fluorophenyl)-quinolin-2-ylmethanamine
CID 106645567
(1R)-1-(3-bromo-2-fluorophenyl)-2-fluoroethanamine
CID 124707209
(3-bromo-2-fluorophenyl)-(3,5-difluorophenyl)methanamine
CID 106645435
(2R)-2-amino-2-(3-bromo-2-fluorophenyl)ethanol
CID 66514745
(1R)-1-(3-bromo-2-fluorophenyl)propan-1-amine
CID 131190372
(3-bromo-2-fluorophenyl)-(2-bromo-3-methylphenyl)methanamine
CID 107985569
(3-bromo-2-fluorophenyl)-(2,4-dibromophenyl)methanamine
CID 107947115
(3-bromo-2-fluorophenyl)-(2,3-dichlorophenyl)methanamine
CID 106648113
(3-bromo-2-fluorophenyl)-(5-bromofuran-2-yl)methanamine
CID 106648228
(3-bromo-2-fluorophenyl)-quinolin-8-ylmethanamine
CID 106648293
(3-bromo-2-fluorophenyl)-(2-methoxyphenyl)methanamine
CID 106645247

Frequently Asked Questions

What is the IUPAC name of (3-bromo-2-fluorophenyl)-(2H-triazol-4-yl)methanamine?
The IUPAC name of (3-bromo-2-fluorophenyl)-(2H-triazol-4-yl)methanamine (CID 106645940) is (3-bromo-2-fluorophenyl)-(2H-triazol-4-yl)methanamine.
What is the SMILES notation for (3-bromo-2-fluorophenyl)-(2H-triazol-4-yl)methanamine?
The canonical SMILES for (3-bromo-2-fluorophenyl)-(2H-triazol-4-yl)methanamine is NC(c1cn[nH]n1)c1cccc(Br)c1F.
What is the InChIKey of (3-bromo-2-fluorophenyl)-(2H-triazol-4-yl)methanamine?
The InChIKey is CCNOXRMEKYRBMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8BrFN4/c10-6-3-1-2-5(8(6)11)9(12)7-4-13-15-14-7/h1-4,9H,12H2,(H,13,14,15).
What are the key properties of (3-bromo-2-fluorophenyl)-(2H-triazol-4-yl)methanamine?
(3-bromo-2-fluorophenyl)-(2H-triazol-4-yl)methanamine has a molecular weight of 271.09 g/mol, XLogP of 1.75, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-2-fluorophenyl)-(2H-triazol-4-yl)methanamine is sourced from PubChem (CID 106645940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).