4-(bromomethyl)-5-(difluoromethyl)-6-methylpyridin-2-amine

C8H9BrF2N2 — CID 130106319

IUPAC4-(bromomethyl)-5-(difluoromethyl)-6-methylpyridin-2-amine
SMILESCc1nc(N)cc(CBr)c1C(F)F
InChIInChI=1S/C8H9BrF2N2/c1-4-7(8(10)11)5(3-9)2-6(12)13-4/h2,8H,3H2,1H3,(H2,12,13)
InChIKeyUCOUJJVJAOLJMG-UHFFFAOYSA-N
MW251.07 g/mol
LogP2.80
Rot. Bonds2

About 4-(bromomethyl)-5-(difluoromethyl)-6-methylpyridin-2-amine

4-(bromomethyl)-5-(difluoromethyl)-6-methylpyridin-2-amine (PubChem CID 130106319) has the molecular formula C8H9BrF2N2 and a molecular weight of 251.07 g/mol. Its IUPAC name is 4-(bromomethyl)-5-(difluoromethyl)-6-methylpyridin-2-amine.

Molecular Properties

Compound Name4-(bromomethyl)-5-(difluoromethyl)-6-methylpyridin-2-amine
PubChem CID130106319
Molecular FormulaC8H9BrF2N2
Molecular Weight251.07 g/mol
Exact Mass249.99
IUPAC Name4-(bromomethyl)-5-(difluoromethyl)-6-methylpyridin-2-amine
SMILESCc1nc(N)cc(CBr)c1C(F)F
InChIInChI=1S/C8H9BrF2N2/c1-4-7(8(10)11)5(3-9)2-6(12)13-4/h2,8H,3H2,1H3,(H2,12,13)
InChIKeyUCOUJJVJAOLJMG-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

[6-amino-3-(difluoromethyl)-2-methyl-4-pyridinyl]methanol
CID 130106484
methyl 2-[6-amino-4-(bromomethyl)-3-(difluoromethyl)-2-pyridinyl]acetate
CID 134673522
[6-amino-4-(bromomethyl)-2-(difluoromethyl)-3-pyridinyl]methanol
CID 130107153
4-(bromomethyl)-3-(difluoromethyl)-6-iodopyridin-2-amine
CID 118995900
4-(bromomethyl)-6-(difluoromethyl)-5-(trifluoromethyl)pyridin-2-amine
CID 130107064
ethyl 6-amino-4-(bromomethyl)-2-(difluoromethyl)pyridine-3-carboxylate
CID 134683777
4-(bromomethyl)-2-chloro-3-(difluoromethyl)-6-fluoropyridine
CID 130071761
6-amino-4-(bromomethyl)-5-(difluoromethyl)pyridine-2-carbonitrile
CID 119015380
6-(bromomethyl)-4-(difluoromethyl)-5-methylpyridin-2-amine
CID 130106324
4-(bromomethyl)-3-(difluoromethyl)-6-(trifluoromethoxy)pyridin-2-amine
CID 119018569
4-(bromomethyl)-6-(difluoromethyl)-5-nitropyridin-2-amine
CID 130106809
2-bromo-4-(bromomethyl)-3-(difluoromethyl)-6-fluoropyridine
CID 119005806

Frequently Asked Questions

What is the IUPAC name of 4-(bromomethyl)-5-(difluoromethyl)-6-methylpyridin-2-amine?
The IUPAC name of 4-(bromomethyl)-5-(difluoromethyl)-6-methylpyridin-2-amine (CID 130106319) is 4-(bromomethyl)-5-(difluoromethyl)-6-methylpyridin-2-amine.
What is the SMILES notation for 4-(bromomethyl)-5-(difluoromethyl)-6-methylpyridin-2-amine?
The canonical SMILES for 4-(bromomethyl)-5-(difluoromethyl)-6-methylpyridin-2-amine is Cc1nc(N)cc(CBr)c1C(F)F.
What is the InChIKey of 4-(bromomethyl)-5-(difluoromethyl)-6-methylpyridin-2-amine?
The InChIKey is UCOUJJVJAOLJMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9BrF2N2/c1-4-7(8(10)11)5(3-9)2-6(12)13-4/h2,8H,3H2,1H3,(H2,12,13).
What are the key properties of 4-(bromomethyl)-5-(difluoromethyl)-6-methylpyridin-2-amine?
4-(bromomethyl)-5-(difluoromethyl)-6-methylpyridin-2-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)-5-(difluoromethyl)-6-methylpyridin-2-amine is sourced from PubChem (CID 130106319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).