[4-bromo-6-(difluoromethyl)-3-methyl-2-pyridinyl]methanamine

C8H9BrF2N2 — CID 118814262

IUPAC[4-bromo-6-(difluoromethyl)-3-methyl-2-pyridinyl]methanamine
SMILESCc1c(Br)cc(C(F)F)nc1CN
InChIInChI=1S/C8H9BrF2N2/c1-4-5(9)2-6(8(10)11)13-7(4)3-12/h2,8H,3,12H2,1H3
InChIKeyFQUZQKSBACTHRU-UHFFFAOYSA-N
MW251.07 g/mol
LogP2.55
Rot. Bonds2

About [4-bromo-6-(difluoromethyl)-3-methyl-2-pyridinyl]methanamine

[4-bromo-6-(difluoromethyl)-3-methyl-2-pyridinyl]methanamine (PubChem CID 118814262) has the molecular formula C8H9BrF2N2 and a molecular weight of 251.07 g/mol. Its IUPAC name is [4-bromo-6-(difluoromethyl)-3-methyl-2-pyridinyl]methanamine.

Molecular Properties

Compound Name[4-bromo-6-(difluoromethyl)-3-methyl-2-pyridinyl]methanamine
PubChem CID118814262
Molecular FormulaC8H9BrF2N2
Molecular Weight251.07 g/mol
Exact Mass249.99
IUPAC Name[4-bromo-6-(difluoromethyl)-3-methyl-2-pyridinyl]methanamine
SMILESCc1c(Br)cc(C(F)F)nc1CN
InChIInChI=1S/C8H9BrF2N2/c1-4-5(9)2-6(8(10)11)13-7(4)3-12/h2,8H,3,12H2,1H3
InChIKeyFQUZQKSBACTHRU-UHFFFAOYSA-N
XLogP2.55
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.07
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[4-bromo-6-(difluoromethyl)-3-fluoro-2-pyridinyl]methanamine
CID 118808600
methyl 2-[4-bromo-6-(difluoromethyl)-3-methyl-2-pyridinyl]acetate
CID 134684404
[6-(difluoromethyl)-3-fluoro-4-methyl-2-pyridinyl]methanamine
CID 118848345
[3-bromo-4-chloro-6-(difluoromethyl)-2-pyridinyl]methanamine
CID 118820044
[3-bromo-6-(difluoromethyl)-5-methyl-2-pyridinyl]methanamine
CID 118820028
4-bromo-2-(bromomethyl)-6-(difluoromethyl)-3-methoxypyridine
CID 130068761
4-amino-2-(aminomethyl)-6-(difluoromethyl)pyridin-3-ol
CID 118818065
[6-(difluoromethyl)-3-fluoro-4-iodo-2-pyridinyl]methanamine
CID 118820195
4-bromo-2-(chloromethyl)-6-(difluoromethyl)-3-methoxypyridine
CID 130068807
2-(chloromethyl)-6-(difluoromethyl)-3-methylpyridin-4-amine
CID 130106396
[6-(aminomethyl)-4-(difluoromethyl)-5-methyl-2-pyridinyl]methanol
CID 130088446
[4-bromo-2-(chloromethyl)-6-(difluoromethyl)-3-pyridinyl]methanol
CID 130070605

Frequently Asked Questions

What is the IUPAC name of [4-bromo-6-(difluoromethyl)-3-methyl-2-pyridinyl]methanamine?
The IUPAC name of [4-bromo-6-(difluoromethyl)-3-methyl-2-pyridinyl]methanamine (CID 118814262) is [4-bromo-6-(difluoromethyl)-3-methyl-2-pyridinyl]methanamine.
What is the SMILES notation for [4-bromo-6-(difluoromethyl)-3-methyl-2-pyridinyl]methanamine?
The canonical SMILES for [4-bromo-6-(difluoromethyl)-3-methyl-2-pyridinyl]methanamine is Cc1c(Br)cc(C(F)F)nc1CN.
What is the InChIKey of [4-bromo-6-(difluoromethyl)-3-methyl-2-pyridinyl]methanamine?
The InChIKey is FQUZQKSBACTHRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9BrF2N2/c1-4-5(9)2-6(8(10)11)13-7(4)3-12/h2,8H,3,12H2,1H3.
What are the key properties of [4-bromo-6-(difluoromethyl)-3-methyl-2-pyridinyl]methanamine?
[4-bromo-6-(difluoromethyl)-3-methyl-2-pyridinyl]methanamine has a molecular weight of 251.07 g/mol, XLogP of 2.55, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-bromo-6-(difluoromethyl)-3-methyl-2-pyridinyl]methanamine is sourced from PubChem (CID 118814262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).