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

C9H4BrF8NO — CID 134667801

IUPAC2-(bromomethyl)-5-(difluoromethyl)-3-(trifluoromethoxy)-4-(trifluoromethyl)pyridine
SMILESFC(F)c1cnc(CBr)c(OC(F)(F)F)c1C(F)(F)F
InChIInChI=1S/C9H4BrF8NO/c10-1-4-6(20-9(16,17)18)5(8(13,14)15)3(2-19-4)7(11)12/h2,7H,1H2
InChIKeyNGKSOMQPTWBCSZ-UHFFFAOYSA-N
MW374.03 g/mol
LogP4.83
Rot. Bonds3

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

2-(bromomethyl)-5-(difluoromethyl)-3-(trifluoromethoxy)-4-(trifluoromethyl)pyridine (PubChem CID 134667801) has the molecular formula C9H4BrF8NO and a molecular weight of 374.03 g/mol. Its IUPAC name is 2-(bromomethyl)-5-(difluoromethyl)-3-(trifluoromethoxy)-4-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name2-(bromomethyl)-5-(difluoromethyl)-3-(trifluoromethoxy)-4-(trifluoromethyl)pyridine
PubChem CID134667801
Molecular FormulaC9H4BrF8NO
Molecular Weight374.03 g/mol
Exact Mass372.93
IUPAC Name2-(bromomethyl)-5-(difluoromethyl)-3-(trifluoromethoxy)-4-(trifluoromethyl)pyridine
SMILESFC(F)c1cnc(CBr)c(OC(F)(F)F)c1C(F)(F)F
InChIInChI=1S/C9H4BrF8NO/c10-1-4-6(20-9(16,17)18)5(8(13,14)15)3(2-19-4)7(11)12/h2,7H,1H2
InChIKeyNGKSOMQPTWBCSZ-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

2-(bromomethyl)-5-(difluoromethyl)-3-(trifluoromethoxy)pyridine-4-carbonitrile
CID 118804476
2-(bromomethyl)-5-(difluoromethyl)-3-(trifluoromethoxy)pyridine-4-carboxylic acid
CID 118827001
6-(bromomethyl)-5-(trifluoromethoxy)-4-(trifluoromethyl)pyridine-3-carbaldehyde
CID 134672645
[5-(difluoromethyl)-4-(trifluoromethoxy)-3-(trifluoromethyl)-2-pyridinyl]methanamine
CID 134672562
2-(bromomethyl)-5-(difluoromethyl)-4-(trifluoromethoxy)pyridine-3-carboxylic acid
CID 118804455
4-bromo-2-(bromomethyl)-5-(difluoromethyl)-3-(trifluoromethyl)pyridine
CID 130070201
2-(bromomethyl)-3-(difluoromethyl)-5-iodo-4-(trifluoromethoxy)pyridine
CID 134668841
2-(bromomethyl)-4-(difluoromethyl)-6-(trifluoromethoxy)-3-(trifluoromethyl)pyridine
CID 134682392
[5-(bromomethyl)-3-(trifluoromethoxy)-4-(trifluoromethyl)-2-pyridinyl]methanol
CID 134671563
2-(bromomethyl)-4-methoxy-3-(trifluoromethoxy)-5-(trifluoromethyl)pyridine
CID 134670134
2-bromo-3-(bromomethyl)-5-(difluoromethyl)-4-(trifluoromethyl)pyridine
CID 118990855
3-(bromomethyl)-5-(difluoromethyl)-2-fluoro-4-(trifluoromethyl)pyridine
CID 130081733

Frequently Asked Questions

What is the IUPAC name of 2-(bromomethyl)-5-(difluoromethyl)-3-(trifluoromethoxy)-4-(trifluoromethyl)pyridine?
The IUPAC name of 2-(bromomethyl)-5-(difluoromethyl)-3-(trifluoromethoxy)-4-(trifluoromethyl)pyridine (CID 134667801) is 2-(bromomethyl)-5-(difluoromethyl)-3-(trifluoromethoxy)-4-(trifluoromethyl)pyridine.
What is the SMILES notation for 2-(bromomethyl)-5-(difluoromethyl)-3-(trifluoromethoxy)-4-(trifluoromethyl)pyridine?
The canonical SMILES for 2-(bromomethyl)-5-(difluoromethyl)-3-(trifluoromethoxy)-4-(trifluoromethyl)pyridine is FC(F)c1cnc(CBr)c(OC(F)(F)F)c1C(F)(F)F.
What is the InChIKey of 2-(bromomethyl)-5-(difluoromethyl)-3-(trifluoromethoxy)-4-(trifluoromethyl)pyridine?
The InChIKey is NGKSOMQPTWBCSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H4BrF8NO/c10-1-4-6(20-9(16,17)18)5(8(13,14)15)3(2-19-4)7(11)12/h2,7H,1H2.
What are the key properties of 2-(bromomethyl)-5-(difluoromethyl)-3-(trifluoromethoxy)-4-(trifluoromethyl)pyridine?
2-(bromomethyl)-5-(difluoromethyl)-3-(trifluoromethoxy)-4-(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 2-(bromomethyl)-5-(difluoromethyl)-3-(trifluoromethoxy)-4-(trifluoromethyl)pyridine is sourced from PubChem (CID 134667801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).