4-(bromomethyl)-3-(difluoromethyl)-2-(trifluoromethoxy)-6-(trifluoromethyl)pyridine

C9H4BrF8NO — CID 134672595

IUPAC4-(bromomethyl)-3-(difluoromethyl)-2-(trifluoromethoxy)-6-(trifluoromethyl)pyridine
SMILESFC(F)c1c(CBr)cc(C(F)(F)F)nc1OC(F)(F)F
InChIInChI=1S/C9H4BrF8NO/c10-2-3-1-4(8(13,14)15)19-7(5(3)6(11)12)20-9(16,17)18/h1,6H,2H2
InChIKeyMFAHWNGMSPPREZ-UHFFFAOYSA-N
MW374.03 g/mol
LogP4.83
Rot. Bonds3

About 4-(bromomethyl)-3-(difluoromethyl)-2-(trifluoromethoxy)-6-(trifluoromethyl)pyridine

4-(bromomethyl)-3-(difluoromethyl)-2-(trifluoromethoxy)-6-(trifluoromethyl)pyridine (PubChem CID 134672595) has the molecular formula C9H4BrF8NO and a molecular weight of 374.03 g/mol. Its IUPAC name is 4-(bromomethyl)-3-(difluoromethyl)-2-(trifluoromethoxy)-6-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name4-(bromomethyl)-3-(difluoromethyl)-2-(trifluoromethoxy)-6-(trifluoromethyl)pyridine
PubChem CID134672595
Molecular FormulaC9H4BrF8NO
Molecular Weight374.03 g/mol
Exact Mass372.93
IUPAC Name4-(bromomethyl)-3-(difluoromethyl)-2-(trifluoromethoxy)-6-(trifluoromethyl)pyridine
SMILESFC(F)c1c(CBr)cc(C(F)(F)F)nc1OC(F)(F)F
InChIInChI=1S/C9H4BrF8NO/c10-2-3-1-4(8(13,14)15)19-7(5(3)6(11)12)20-9(16,17)18/h1,6H,2H2
InChIKeyMFAHWNGMSPPREZ-UHFFFAOYSA-N
XLogP4.83
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.03
LogP ≤ 54.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-(bromomethyl)-3-(difluoromethyl)-6-(trifluoromethoxy)pyridin-2-amine
CID 119018569
2-(bromomethyl)-3-(difluoromethyl)-4-(trifluoromethoxy)-6-(trifluoromethyl)pyridine
CID 134670039
4-(bromomethyl)-2-(difluoromethyl)-3-methoxy-6-(trifluoromethyl)pyridine
CID 118801682
3-(difluoromethyl)-2-methoxy-4-(trifluoromethoxy)-6-(trifluoromethyl)pyridine
CID 134665221
5-(bromomethyl)-2-(difluoromethyl)-6-(trifluoromethoxy)pyridin-3-ol
CID 134666693
5-(difluoromethyl)-6-(trifluoromethoxy)pyridine-2,4-diamine
CID 118806656
4-(aminomethyl)-5-(difluoromethyl)-6-(trifluoromethoxy)pyridine-2-carboxylic acid
CID 118801555
[3-(difluoromethyl)-2-fluoro-6-(trifluoromethyl)-4-pyridinyl]methanamine
CID 130081569
5-(bromomethyl)-3-(difluoromethyl)-4-methoxy-2-(trifluoromethoxy)pyridine
CID 134662895
2-[5-(bromomethyl)-6-(difluoromethyl)-2-(trifluoromethoxy)-3-pyridinyl]acetonitrile
CID 165342409
2-[3-fluoro-2-(trifluoromethoxy)-6-(trifluoromethyl)-4-pyridinyl]acetic acid
CID 134659573
6-(bromomethyl)-3-(difluoromethyl)-4-(trifluoromethoxy)pyridin-2-amine
CID 119009701

Frequently Asked Questions

What is the IUPAC name of 4-(bromomethyl)-3-(difluoromethyl)-2-(trifluoromethoxy)-6-(trifluoromethyl)pyridine?
The IUPAC name of 4-(bromomethyl)-3-(difluoromethyl)-2-(trifluoromethoxy)-6-(trifluoromethyl)pyridine (CID 134672595) is 4-(bromomethyl)-3-(difluoromethyl)-2-(trifluoromethoxy)-6-(trifluoromethyl)pyridine.
What is the SMILES notation for 4-(bromomethyl)-3-(difluoromethyl)-2-(trifluoromethoxy)-6-(trifluoromethyl)pyridine?
The canonical SMILES for 4-(bromomethyl)-3-(difluoromethyl)-2-(trifluoromethoxy)-6-(trifluoromethyl)pyridine is FC(F)c1c(CBr)cc(C(F)(F)F)nc1OC(F)(F)F.
What is the InChIKey of 4-(bromomethyl)-3-(difluoromethyl)-2-(trifluoromethoxy)-6-(trifluoromethyl)pyridine?
The InChIKey is MFAHWNGMSPPREZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H4BrF8NO/c10-2-3-1-4(8(13,14)15)19-7(5(3)6(11)12)20-9(16,17)18/h1,6H,2H2.
What are the key properties of 4-(bromomethyl)-3-(difluoromethyl)-2-(trifluoromethoxy)-6-(trifluoromethyl)pyridine?
4-(bromomethyl)-3-(difluoromethyl)-2-(trifluoromethoxy)-6-(trifluoromethyl)pyridine has a molecular weight of 374.03 g/mol, XLogP of 4.83, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(bromomethyl)-3-(difluoromethyl)-2-(trifluoromethoxy)-6-(trifluoromethyl)pyridine is sourced from PubChem (CID 134672595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).