5-(bromomethyl)-2-(difluoromethyl)-3,4-dimethylpyridine

C9H10BrF2N — CID 130101296

IUPAC5-(bromomethyl)-2-(difluoromethyl)-3,4-dimethylpyridine
SMILESCc1c(CBr)cnc(C(F)F)c1C
InChIInChI=1S/C9H10BrF2N/c1-5-6(2)8(9(11)12)13-4-7(5)3-10/h4,9H,3H2,1-2H3
InChIKeyPHCPGASOQBTYJN-UHFFFAOYSA-N
MW250.09 g/mol
LogP3.53
Rot. Bonds2

About 5-(bromomethyl)-2-(difluoromethyl)-3,4-dimethylpyridine

5-(bromomethyl)-2-(difluoromethyl)-3,4-dimethylpyridine (PubChem CID 130101296) has the molecular formula C9H10BrF2N and a molecular weight of 250.09 g/mol. Its IUPAC name is 5-(bromomethyl)-2-(difluoromethyl)-3,4-dimethylpyridine.

Molecular Properties

Compound Name5-(bromomethyl)-2-(difluoromethyl)-3,4-dimethylpyridine
PubChem CID130101296
Molecular FormulaC9H10BrF2N
Molecular Weight250.09 g/mol
Exact Mass249.00
IUPAC Name5-(bromomethyl)-2-(difluoromethyl)-3,4-dimethylpyridine
SMILESCc1c(CBr)cnc(C(F)F)c1C
InChIInChI=1S/C9H10BrF2N/c1-5-6(2)8(9(11)12)13-4-7(5)3-10/h4,9H,3H2,1-2H3
InChIKeyPHCPGASOQBTYJN-UHFFFAOYSA-N
XLogP3.53
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.09
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

5-(bromomethyl)-2-(difluoromethyl)-4-iodo-3-methylpyridine
CID 130086035
2-[5-(bromomethyl)-2-(difluoromethyl)-4-methyl-3-pyridinyl]acetic acid
CID 130090297
4-(bromomethyl)-6-(difluoromethyl)-5-methylpyridin-3-amine
CID 130106337
2-[5-(bromomethyl)-6-(difluoromethyl)-4-methyl-3-pyridinyl]acetic acid
CID 130090266
3-(bromomethyl)-2-(difluoromethyl)-5-methoxy-4-methylpyridine
CID 130087813
5-(bromomethyl)-3-chloro-2-(difluoromethyl)-4-methoxypyridine
CID 130073771
3-bromo-5-(chloromethyl)-2-(difluoromethyl)-4-methylpyridine
CID 130069239
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-methylpyridin-3-amine
CID 130106332
5-(bromomethyl)-6-(difluoromethyl)pyridin-3-ol
CID 130097039
ethyl 3-bromo-5-(bromomethyl)-2-(difluoromethyl)pyridine-4-carboxylate
CID 134685320

Frequently Asked Questions

What is the IUPAC name of 5-(bromomethyl)-2-(difluoromethyl)-3,4-dimethylpyridine?
The IUPAC name of 5-(bromomethyl)-2-(difluoromethyl)-3,4-dimethylpyridine (CID 130101296) is 5-(bromomethyl)-2-(difluoromethyl)-3,4-dimethylpyridine.
What is the SMILES notation for 5-(bromomethyl)-2-(difluoromethyl)-3,4-dimethylpyridine?
The canonical SMILES for 5-(bromomethyl)-2-(difluoromethyl)-3,4-dimethylpyridine is Cc1c(CBr)cnc(C(F)F)c1C.
What is the InChIKey of 5-(bromomethyl)-2-(difluoromethyl)-3,4-dimethylpyridine?
The InChIKey is PHCPGASOQBTYJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrF2N/c1-5-6(2)8(9(11)12)13-4-7(5)3-10/h4,9H,3H2,1-2H3.
What are the key properties of 5-(bromomethyl)-2-(difluoromethyl)-3,4-dimethylpyridine?
5-(bromomethyl)-2-(difluoromethyl)-3,4-dimethylpyridine has a molecular weight of 250.09 g/mol, XLogP of 3.53, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(bromomethyl)-2-(difluoromethyl)-3,4-dimethylpyridine is sourced from PubChem (CID 130101296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).