3-bromo-5-(chloromethyl)-4-(difluoromethyl)-2-(trifluoromethyl)pyridine

C8H4BrClF5N — CID 130070510

IUPAC3-bromo-5-(chloromethyl)-4-(difluoromethyl)-2-(trifluoromethyl)pyridine
SMILESFC(F)c1c(CCl)cnc(C(F)(F)F)c1Br
InChIInChI=1S/C8H4BrClF5N/c9-5-4(7(11)12)3(1-10)2-16-6(5)8(13,14)15/h2,7H,1H2
InChIKeyPWXDFRVELZMUMN-UHFFFAOYSA-N
MW324.47 g/mol
LogP4.54
Rot. Bonds2

About 3-bromo-5-(chloromethyl)-4-(difluoromethyl)-2-(trifluoromethyl)pyridine

3-bromo-5-(chloromethyl)-4-(difluoromethyl)-2-(trifluoromethyl)pyridine (PubChem CID 130070510) has the molecular formula C8H4BrClF5N and a molecular weight of 324.47 g/mol. Its IUPAC name is 3-bromo-5-(chloromethyl)-4-(difluoromethyl)-2-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name3-bromo-5-(chloromethyl)-4-(difluoromethyl)-2-(trifluoromethyl)pyridine
PubChem CID130070510
Molecular FormulaC8H4BrClF5N
Molecular Weight324.47 g/mol
Exact Mass322.91
IUPAC Name3-bromo-5-(chloromethyl)-4-(difluoromethyl)-2-(trifluoromethyl)pyridine
SMILESFC(F)c1c(CCl)cnc(C(F)(F)F)c1Br
InChIInChI=1S/C8H4BrClF5N/c9-5-4(7(11)12)3(1-10)2-16-6(5)8(13,14)15/h2,7H,1H2
InChIKeyPWXDFRVELZMUMN-UHFFFAOYSA-N
XLogP4.54
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.47
LogP ≤ 54.54
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

3-bromo-5-(chloromethyl)-4-(difluoromethyl)pyridin-2-amine
CID 130101929
2-bromo-5-(chloromethyl)-4-(difluoromethyl)-3-(trifluoromethyl)pyridine
CID 118995369
2-bromo-5-(chloromethyl)-4-(difluoromethyl)-3-fluoropyridine
CID 119019587
2-chloro-5-(chloromethyl)-3-(difluoromethyl)-4-(trifluoromethyl)pyridine
CID 119009541
2-bromo-4-chloro-5-(chloromethyl)-3-(difluoromethyl)pyridine
CID 119022825
3-(chloromethyl)-4-(difluoromethyl)-5-(trifluoromethyl)pyridine
CID 134664093
4-bromo-5-(chloromethyl)-3-(difluoromethyl)-2-methoxypyridine
CID 118799277
ethyl 2-[4-bromo-5-(difluoromethyl)-6-(trifluoromethyl)-3-pyridinyl]acetate
CID 134676322
2-[5-chloro-4-(difluoromethyl)-6-(trifluoromethyl)-3-pyridinyl]acetic acid
CID 134684141
5-(chloromethyl)-3-(difluoromethyl)-4-(trifluoromethoxy)pyridin-2-amine
CID 119007700
4-bromo-3-(difluoromethyl)-5-(trifluoromethoxy)-2-(trifluoromethyl)pyridine
CID 118839758
3-chloro-5-(chloromethyl)-4-(difluoromethyl)-2-iodopyridine
CID 130073184

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-(chloromethyl)-4-(difluoromethyl)-2-(trifluoromethyl)pyridine?
The IUPAC name of 3-bromo-5-(chloromethyl)-4-(difluoromethyl)-2-(trifluoromethyl)pyridine (CID 130070510) is 3-bromo-5-(chloromethyl)-4-(difluoromethyl)-2-(trifluoromethyl)pyridine.
What is the SMILES notation for 3-bromo-5-(chloromethyl)-4-(difluoromethyl)-2-(trifluoromethyl)pyridine?
The canonical SMILES for 3-bromo-5-(chloromethyl)-4-(difluoromethyl)-2-(trifluoromethyl)pyridine is FC(F)c1c(CCl)cnc(C(F)(F)F)c1Br.
What is the InChIKey of 3-bromo-5-(chloromethyl)-4-(difluoromethyl)-2-(trifluoromethyl)pyridine?
The InChIKey is PWXDFRVELZMUMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4BrClF5N/c9-5-4(7(11)12)3(1-10)2-16-6(5)8(13,14)15/h2,7H,1H2.
What are the key properties of 3-bromo-5-(chloromethyl)-4-(difluoromethyl)-2-(trifluoromethyl)pyridine?
3-bromo-5-(chloromethyl)-4-(difluoromethyl)-2-(trifluoromethyl)pyridine has a molecular weight of 324.47 g/mol, XLogP of 4.54, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-(chloromethyl)-4-(difluoromethyl)-2-(trifluoromethyl)pyridine is sourced from PubChem (CID 130070510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).