(5-bromo-3-methyltriazol-4-yl)-(5-fluoro-2-pyridinyl)methanamine

C9H9BrFN5 — CID 106462732

IUPAC(5-bromo-3-methyltriazol-4-yl)-(5-fluoro-2-pyridinyl)methanamine
SMILESCn1nnc(Br)c1C(N)c1ccc(F)cn1
InChIInChI=1S/C9H9BrFN5/c1-16-8(9(10)14-15-16)7(12)6-3-2-5(11)4-13-6/h2-4,7H,12H2,1H3
InChIKeyFDMWOYZITIWBHO-UHFFFAOYSA-N
MW286.11 g/mol
LogP1.16
Rot. Bonds2

About (5-bromo-3-methyltriazol-4-yl)-(5-fluoro-2-pyridinyl)methanamine

(5-bromo-3-methyltriazol-4-yl)-(5-fluoro-2-pyridinyl)methanamine (PubChem CID 106462732) has the molecular formula C9H9BrFN5 and a molecular weight of 286.11 g/mol. Its IUPAC name is (5-bromo-3-methyltriazol-4-yl)-(5-fluoro-2-pyridinyl)methanamine.

Molecular Properties

Compound Name(5-bromo-3-methyltriazol-4-yl)-(5-fluoro-2-pyridinyl)methanamine
PubChem CID106462732
Molecular FormulaC9H9BrFN5
Molecular Weight286.11 g/mol
Exact Mass285.00
IUPAC Name(5-bromo-3-methyltriazol-4-yl)-(5-fluoro-2-pyridinyl)methanamine
SMILESCn1nnc(Br)c1C(N)c1ccc(F)cn1
InChIInChI=1S/C9H9BrFN5/c1-16-8(9(10)14-15-16)7(12)6-3-2-5(11)4-13-6/h2-4,7H,12H2,1H3
InChIKeyFDMWOYZITIWBHO-UHFFFAOYSA-N
XLogP1.16
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.11
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(5-bromo-3-methyltriazol-4-yl)-(4-methyl-2-pyridinyl)methanamine
CID 106462380
(5-bromo-3-methyltriazol-4-yl)-(3,5-difluorophenyl)methanamine
CID 106462222
(5-bromo-3-methyltriazol-4-yl)-(5-fluoro-3-pyridinyl)methanamine
CID 106464908
(5-bromo-3-methyltriazol-4-yl)-(2,3,4,5,6-pentafluorophenyl)methanamine
CID 106464948
(5-bromo-3-methyltriazol-4-yl)-(6-methyl-3-pyridinyl)methanamine
CID 106465360
(5-bromo-3-methyltriazol-4-yl)-(2-methylpyrazol-3-yl)methanamine
CID 106464783
(5-bromo-3-methyltriazol-4-yl)-(4-tert-butylphenyl)methanamine
CID 106465277
1-(5-fluoro-2-pyridinyl)-2-(2-methyltetrazol-5-yl)ethanamine
CID 107050206
(5-bromo-3-methyltriazol-4-yl)-(4-methyl-1,3-thiazol-5-yl)methanamine
CID 106464896
(3,5-dimethylphenyl)-(5-fluoro-2-pyridinyl)methanamine
CID 79722165
1-(5-bromo-3-methyltriazol-4-yl)-2-(4-fluorophenyl)-2-methylpropan-1-ol
CID 106461840
(5-bromo-3-methyltriazol-4-yl)-(3-chlorothiophen-2-yl)methanamine
CID 106464957

Frequently Asked Questions

What is the IUPAC name of (5-bromo-3-methyltriazol-4-yl)-(5-fluoro-2-pyridinyl)methanamine?
The IUPAC name of (5-bromo-3-methyltriazol-4-yl)-(5-fluoro-2-pyridinyl)methanamine (CID 106462732) is (5-bromo-3-methyltriazol-4-yl)-(5-fluoro-2-pyridinyl)methanamine.
What is the SMILES notation for (5-bromo-3-methyltriazol-4-yl)-(5-fluoro-2-pyridinyl)methanamine?
The canonical SMILES for (5-bromo-3-methyltriazol-4-yl)-(5-fluoro-2-pyridinyl)methanamine is Cn1nnc(Br)c1C(N)c1ccc(F)cn1.
What is the InChIKey of (5-bromo-3-methyltriazol-4-yl)-(5-fluoro-2-pyridinyl)methanamine?
The InChIKey is FDMWOYZITIWBHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrFN5/c1-16-8(9(10)14-15-16)7(12)6-3-2-5(11)4-13-6/h2-4,7H,12H2,1H3.
What are the key properties of (5-bromo-3-methyltriazol-4-yl)-(5-fluoro-2-pyridinyl)methanamine?
(5-bromo-3-methyltriazol-4-yl)-(5-fluoro-2-pyridinyl)methanamine has a molecular weight of 286.11 g/mol, XLogP of 1.16, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-3-methyltriazol-4-yl)-(5-fluoro-2-pyridinyl)methanamine is sourced from PubChem (CID 106462732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).