5-(bromomethyl)-4-(difluoromethyl)-2-fluoro-3-(trifluoromethyl)pyridine

C8H4BrF6N — CID 130081732

IUPAC5-(bromomethyl)-4-(difluoromethyl)-2-fluoro-3-(trifluoromethyl)pyridine
SMILESFc1ncc(CBr)c(C(F)F)c1C(F)(F)F
InChIInChI=1S/C8H4BrF6N/c9-1-3-2-16-7(12)5(8(13,14)15)4(3)6(10)11/h2,6H,1H2
InChIKeyVDUUNMWLUNXQPN-UHFFFAOYSA-N
MW308.02 g/mol
LogP4.07
Rot. Bonds2

About 5-(bromomethyl)-4-(difluoromethyl)-2-fluoro-3-(trifluoromethyl)pyridine

5-(bromomethyl)-4-(difluoromethyl)-2-fluoro-3-(trifluoromethyl)pyridine (PubChem CID 130081732) has the molecular formula C8H4BrF6N and a molecular weight of 308.02 g/mol. Its IUPAC name is 5-(bromomethyl)-4-(difluoromethyl)-2-fluoro-3-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name5-(bromomethyl)-4-(difluoromethyl)-2-fluoro-3-(trifluoromethyl)pyridine
PubChem CID130081732
Molecular FormulaC8H4BrF6N
Molecular Weight308.02 g/mol
Exact Mass306.94
IUPAC Name5-(bromomethyl)-4-(difluoromethyl)-2-fluoro-3-(trifluoromethyl)pyridine
SMILESFc1ncc(CBr)c(C(F)F)c1C(F)(F)F
InChIInChI=1S/C8H4BrF6N/c9-1-3-2-16-7(12)5(8(13,14)15)4(3)6(10)11/h2,6H,1H2
InChIKeyVDUUNMWLUNXQPN-UHFFFAOYSA-N
XLogP4.07
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.02
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

5-(bromomethyl)-4-(difluoromethyl)-2-fluoropyridin-3-amine
CID 130104035
3-(bromomethyl)-5-(difluoromethyl)-2-fluoro-4-(trifluoromethyl)pyridine
CID 130081733
2-[5-(difluoromethyl)-6-fluoro-4-(trifluoromethyl)-3-pyridinyl]acetonitrile
CID 133103967
2-bromo-5-(chloromethyl)-4-(difluoromethyl)-3-(trifluoromethyl)pyridine
CID 118995369
3-(bromomethyl)-4-(difluoromethyl)-5-fluoropyridine
CID 130096320
ethyl 5-(bromomethyl)-4-(difluoromethyl)-2-fluoropyridine-3-carboxylate
CID 133103882
3-amino-5-(bromomethyl)-4-(difluoromethyl)pyridine-2-carbaldehyde
CID 130107224
ethyl 2-[4-(bromomethyl)-5-(difluoromethyl)-6-fluoro-3-pyridinyl]acetate
CID 133104106
4-(bromomethyl)-6-(difluoromethyl)-5-(trifluoromethyl)pyridin-2-amine
CID 130107064
2-chloro-5-(chloromethyl)-3-(difluoromethyl)-4-(trifluoromethyl)pyridine
CID 119009541
2-[6-amino-4-(difluoromethyl)-5-(trifluoromethyl)-3-pyridinyl]acetonitrile
CID 119006914
[3-amino-5-(bromomethyl)-4-(difluoromethyl)-2-pyridinyl]methanol
CID 130107173

Frequently Asked Questions

What is the IUPAC name of 5-(bromomethyl)-4-(difluoromethyl)-2-fluoro-3-(trifluoromethyl)pyridine?
The IUPAC name of 5-(bromomethyl)-4-(difluoromethyl)-2-fluoro-3-(trifluoromethyl)pyridine (CID 130081732) is 5-(bromomethyl)-4-(difluoromethyl)-2-fluoro-3-(trifluoromethyl)pyridine.
What is the SMILES notation for 5-(bromomethyl)-4-(difluoromethyl)-2-fluoro-3-(trifluoromethyl)pyridine?
The canonical SMILES for 5-(bromomethyl)-4-(difluoromethyl)-2-fluoro-3-(trifluoromethyl)pyridine is Fc1ncc(CBr)c(C(F)F)c1C(F)(F)F.
What is the InChIKey of 5-(bromomethyl)-4-(difluoromethyl)-2-fluoro-3-(trifluoromethyl)pyridine?
The InChIKey is VDUUNMWLUNXQPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4BrF6N/c9-1-3-2-16-7(12)5(8(13,14)15)4(3)6(10)11/h2,6H,1H2.
What are the key properties of 5-(bromomethyl)-4-(difluoromethyl)-2-fluoro-3-(trifluoromethyl)pyridine?
5-(bromomethyl)-4-(difluoromethyl)-2-fluoro-3-(trifluoromethyl)pyridine has a molecular weight of 308.02 g/mol, XLogP of 4.07, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(bromomethyl)-4-(difluoromethyl)-2-fluoro-3-(trifluoromethyl)pyridine is sourced from PubChem (CID 130081732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).