5-(bromomethyl)-4-(difluoromethyl)-6-methylpyridin-3-amine

C8H9BrF2N2 — CID 130106341

IUPAC5-(bromomethyl)-4-(difluoromethyl)-6-methylpyridin-3-amine
SMILESCc1ncc(N)c(C(F)F)c1CBr
InChIInChI=1S/C8H9BrF2N2/c1-4-5(2-9)7(8(10)11)6(12)3-13-4/h3,8H,2,12H2,1H3
InChIKeyLXJPFAHIYFIMCC-UHFFFAOYSA-N
MW251.07 g/mol
LogP2.80
Rot. Bonds2

About 5-(bromomethyl)-4-(difluoromethyl)-6-methylpyridin-3-amine

5-(bromomethyl)-4-(difluoromethyl)-6-methylpyridin-3-amine (PubChem CID 130106341) has the molecular formula C8H9BrF2N2 and a molecular weight of 251.07 g/mol. Its IUPAC name is 5-(bromomethyl)-4-(difluoromethyl)-6-methylpyridin-3-amine.

Molecular Properties

Compound Name5-(bromomethyl)-4-(difluoromethyl)-6-methylpyridin-3-amine
PubChem CID130106341
Molecular FormulaC8H9BrF2N2
Molecular Weight251.07 g/mol
Exact Mass249.99
IUPAC Name5-(bromomethyl)-4-(difluoromethyl)-6-methylpyridin-3-amine
SMILESCc1ncc(N)c(C(F)F)c1CBr
InChIInChI=1S/C8H9BrF2N2/c1-4-5(2-9)7(8(10)11)6(12)3-13-4/h3,8H,2,12H2,1H3
InChIKeyLXJPFAHIYFIMCC-UHFFFAOYSA-N
XLogP2.80
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 ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

5-(bromomethyl)-4-(difluoromethyl)-6-methylpyridin-3-ol
CID 130083707
5-(bromomethyl)-4-(difluoromethyl)-6-methylpyridine-3-carbonitrile
CID 130078238
4-(chloromethyl)-5-(difluoromethyl)-6-methylpyridin-3-amine
CID 130106383
4-(bromomethyl)-6-(difluoromethyl)-5-methylpyridin-3-amine
CID 130106337
5-amino-2-(bromomethyl)-4-(difluoromethyl)pyridin-3-ol
CID 130104710
5-(aminomethyl)-4-(difluoromethyl)-6-fluoropyridin-3-amine
CID 130104000
3-(bromomethyl)-4-(difluoromethyl)-5-fluoropyridin-2-amine
CID 118992544
4-(difluoromethyl)-6-methyl-5-nitropyridin-3-amine
CID 130106268
5-(aminomethyl)-4-(difluoromethyl)-6-iodopyridin-3-amine
CID 130105277
6-(bromomethyl)-4-chloro-5-(difluoromethyl)pyridin-3-amine
CID 130102704
4-(bromomethyl)-2-(difluoromethyl)-5-methylpyridin-3-amine
CID 130106332
5-amino-3-(aminomethyl)-4-(difluoromethyl)pyridine-2-carbonitrile
CID 130103400

Frequently Asked Questions

What is the IUPAC name of 5-(bromomethyl)-4-(difluoromethyl)-6-methylpyridin-3-amine?
The IUPAC name of 5-(bromomethyl)-4-(difluoromethyl)-6-methylpyridin-3-amine (CID 130106341) is 5-(bromomethyl)-4-(difluoromethyl)-6-methylpyridin-3-amine.
What is the SMILES notation for 5-(bromomethyl)-4-(difluoromethyl)-6-methylpyridin-3-amine?
The canonical SMILES for 5-(bromomethyl)-4-(difluoromethyl)-6-methylpyridin-3-amine is Cc1ncc(N)c(C(F)F)c1CBr.
What is the InChIKey of 5-(bromomethyl)-4-(difluoromethyl)-6-methylpyridin-3-amine?
The InChIKey is LXJPFAHIYFIMCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9BrF2N2/c1-4-5(2-9)7(8(10)11)6(12)3-13-4/h3,8H,2,12H2,1H3.
What are the key properties of 5-(bromomethyl)-4-(difluoromethyl)-6-methylpyridin-3-amine?
5-(bromomethyl)-4-(difluoromethyl)-6-methylpyridin-3-amine has a molecular weight of 251.07 g/mol, XLogP of 2.80, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(bromomethyl)-4-(difluoromethyl)-6-methylpyridin-3-amine is sourced from PubChem (CID 130106341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).