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

C9H7BrF5NO — CID 118801682

IUPAC4-(bromomethyl)-2-(difluoromethyl)-3-methoxy-6-(trifluoromethyl)pyridine
SMILESCOc1c(CBr)cc(C(F)(F)F)nc1C(F)F
InChIInChI=1S/C9H7BrF5NO/c1-17-7-4(3-10)2-5(9(13,14)15)16-6(7)8(11)12/h2,8H,3H2,1H3
InChIKeyYDWHORQDEAPVCJ-UHFFFAOYSA-N
MW320.06 g/mol
LogP3.94
Rot. Bonds3

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

4-(bromomethyl)-2-(difluoromethyl)-3-methoxy-6-(trifluoromethyl)pyridine (PubChem CID 118801682) has the molecular formula C9H7BrF5NO and a molecular weight of 320.06 g/mol. Its IUPAC name is 4-(bromomethyl)-2-(difluoromethyl)-3-methoxy-6-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name4-(bromomethyl)-2-(difluoromethyl)-3-methoxy-6-(trifluoromethyl)pyridine
PubChem CID118801682
Molecular FormulaC9H7BrF5NO
Molecular Weight320.06 g/mol
Exact Mass318.96
IUPAC Name4-(bromomethyl)-2-(difluoromethyl)-3-methoxy-6-(trifluoromethyl)pyridine
SMILESCOc1c(CBr)cc(C(F)(F)F)nc1C(F)F
InChIInChI=1S/C9H7BrF5NO/c1-17-7-4(3-10)2-5(9(13,14)15)16-6(7)8(11)12/h2,8H,3H2,1H3
InChIKeyYDWHORQDEAPVCJ-UHFFFAOYSA-N
XLogP3.94
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.06
LogP ≤ 53.94
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-(difluoromethyl)-4-iodo-3-methoxy-6-(trifluoromethyl)pyridine
CID 118809295
4-(bromomethyl)-2-(difluoromethyl)-3-methoxy-6-(trifluoromethoxy)pyridine
CID 134668892
2-(difluoromethyl)-3-methoxy-4-nitro-6-(trifluoromethyl)pyridine
CID 118842821
3-bromo-2-(difluoromethyl)-4-methoxy-6-(trifluoromethyl)pyridine
CID 130068827
2-(difluoromethyl)-4-methoxy-6-(trifluoromethyl)pyridin-3-amine
CID 130106010
4-(bromomethyl)-3-(difluoromethyl)-2-(trifluoromethoxy)-6-(trifluoromethyl)pyridine
CID 134672595
[2-(difluoromethyl)-3-iodo-6-(trifluoromethyl)-4-pyridinyl]methanamine
CID 130086828
6-(bromomethyl)-4-chloro-2-(difluoromethyl)-3-methoxypyridine
CID 130073747
[6-(difluoromethyl)-5-methoxy-4-(trifluoromethyl)-2-pyridinyl]methanamine
CID 133084888
4-(bromomethyl)-6-methoxy-3-(trifluoromethoxy)-2-(trifluoromethyl)pyridine
CID 134671271
6-chloro-2-(difluoromethyl)-3-methoxy-4-(trifluoromethyl)pyridine
CID 130073844
[2-(difluoromethyl)-3-methoxy-6-(trifluoromethoxy)-4-pyridinyl]methanamine
CID 134678172

Frequently Asked Questions

What is the IUPAC name of 4-(bromomethyl)-2-(difluoromethyl)-3-methoxy-6-(trifluoromethyl)pyridine?
The IUPAC name of 4-(bromomethyl)-2-(difluoromethyl)-3-methoxy-6-(trifluoromethyl)pyridine (CID 118801682) is 4-(bromomethyl)-2-(difluoromethyl)-3-methoxy-6-(trifluoromethyl)pyridine.
What is the SMILES notation for 4-(bromomethyl)-2-(difluoromethyl)-3-methoxy-6-(trifluoromethyl)pyridine?
The canonical SMILES for 4-(bromomethyl)-2-(difluoromethyl)-3-methoxy-6-(trifluoromethyl)pyridine is COc1c(CBr)cc(C(F)(F)F)nc1C(F)F.
What is the InChIKey of 4-(bromomethyl)-2-(difluoromethyl)-3-methoxy-6-(trifluoromethyl)pyridine?
The InChIKey is YDWHORQDEAPVCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7BrF5NO/c1-17-7-4(3-10)2-5(9(13,14)15)16-6(7)8(11)12/h2,8H,3H2,1H3.
What are the key properties of 4-(bromomethyl)-2-(difluoromethyl)-3-methoxy-6-(trifluoromethyl)pyridine?
4-(bromomethyl)-2-(difluoromethyl)-3-methoxy-6-(trifluoromethyl)pyridine has a molecular weight of 320.06 g/mol, XLogP of 3.94, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(bromomethyl)-2-(difluoromethyl)-3-methoxy-6-(trifluoromethyl)pyridine is sourced from PubChem (CID 118801682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).