4-(bromomethyl)-2-(difluoromethyl)-5-methylpyridin-3-amine

C8H9BrF2N2 — CID 130106332

IUPAC4-(bromomethyl)-2-(difluoromethyl)-5-methylpyridin-3-amine
SMILESCc1cnc(C(F)F)c(N)c1CBr
InChIInChI=1S/C8H9BrF2N2/c1-4-3-13-7(8(10)11)6(12)5(4)2-9/h3,8H,2,12H2,1H3
InChIKeyMRUHJGRQFOMNDW-UHFFFAOYSA-N
MW251.07 g/mol
LogP2.80
Rot. Bonds2

About 4-(bromomethyl)-2-(difluoromethyl)-5-methylpyridin-3-amine

4-(bromomethyl)-2-(difluoromethyl)-5-methylpyridin-3-amine (PubChem CID 130106332) has the molecular formula C8H9BrF2N2 and a molecular weight of 251.07 g/mol. Its IUPAC name is 4-(bromomethyl)-2-(difluoromethyl)-5-methylpyridin-3-amine.

Molecular Properties

Compound Name4-(bromomethyl)-2-(difluoromethyl)-5-methylpyridin-3-amine
PubChem CID130106332
Molecular FormulaC8H9BrF2N2
Molecular Weight251.07 g/mol
Exact Mass249.99
IUPAC Name4-(bromomethyl)-2-(difluoromethyl)-5-methylpyridin-3-amine
SMILESCc1cnc(C(F)F)c(N)c1CBr
InChIInChI=1S/C8H9BrF2N2/c1-4-3-13-7(8(10)11)6(12)5(4)2-9/h3,8H,2,12H2,1H3
InChIKeyMRUHJGRQFOMNDW-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

4-(bromomethyl)-2-(difluoromethyl)-3-iodo-5-methylpyridine
CID 130086022
[4-(bromomethyl)-2-(difluoromethyl)-5-methyl-3-pyridinyl]methanol
CID 130090067
4-(bromomethyl)-2-(difluoromethyl)-5-iodopyridin-3-amine
CID 130105305
4-(bromomethyl)-6-(difluoromethyl)-5-methylpyridin-3-amine
CID 130106337
2-(difluoromethyl)-4-iodo-5-methylpyridin-3-amine
CID 130105197
3-(chloromethyl)-2-(difluoromethyl)-5-methylpyridin-4-amine
CID 130106398
[3-chloro-2-(difluoromethyl)-5-methyl-4-pyridinyl]methanamine
CID 118829811
2-[3-bromo-2-(difluoromethyl)-5-methyl-4-pyridinyl]acetonitrile
CID 130069309
ethyl 2-[3-bromo-2-(difluoromethyl)-5-methyl-4-pyridinyl]acetate
CID 134675934
5-(aminomethyl)-2-(difluoromethyl)-4-methylpyridin-3-amine
CID 130106302
3-(bromomethyl)-2-(difluoromethyl)-5-nitropyridin-4-amine
CID 130106839
5-(bromomethyl)-2-(difluoromethyl)-3,4-dimethylpyridine
CID 130101296

Frequently Asked Questions

What is the IUPAC name of 4-(bromomethyl)-2-(difluoromethyl)-5-methylpyridin-3-amine?
The IUPAC name of 4-(bromomethyl)-2-(difluoromethyl)-5-methylpyridin-3-amine (CID 130106332) is 4-(bromomethyl)-2-(difluoromethyl)-5-methylpyridin-3-amine.
What is the SMILES notation for 4-(bromomethyl)-2-(difluoromethyl)-5-methylpyridin-3-amine?
The canonical SMILES for 4-(bromomethyl)-2-(difluoromethyl)-5-methylpyridin-3-amine is Cc1cnc(C(F)F)c(N)c1CBr.
What is the InChIKey of 4-(bromomethyl)-2-(difluoromethyl)-5-methylpyridin-3-amine?
The InChIKey is MRUHJGRQFOMNDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9BrF2N2/c1-4-3-13-7(8(10)11)6(12)5(4)2-9/h3,8H,2,12H2,1H3.
What are the key properties of 4-(bromomethyl)-2-(difluoromethyl)-5-methylpyridin-3-amine?
4-(bromomethyl)-2-(difluoromethyl)-5-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 4-(bromomethyl)-2-(difluoromethyl)-5-methylpyridin-3-amine is sourced from PubChem (CID 130106332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).