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

C9H7BrF5NO2 — CID 134668892

IUPAC4-(bromomethyl)-2-(difluoromethyl)-3-methoxy-6-(trifluoromethoxy)pyridine
SMILESCOc1c(CBr)cc(OC(F)(F)F)nc1C(F)F
InChIInChI=1S/C9H7BrF5NO2/c1-17-7-4(3-10)2-5(18-9(13,14)15)16-6(7)8(11)12/h2,8H,3H2,1H3
InChIKeyCTZKHLZGQVFAAM-UHFFFAOYSA-N
MW336.05 g/mol
LogP3.82
Rot. Bonds4

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

4-(bromomethyl)-2-(difluoromethyl)-3-methoxy-6-(trifluoromethoxy)pyridine (PubChem CID 134668892) has the molecular formula C9H7BrF5NO2 and a molecular weight of 336.05 g/mol. Its IUPAC name is 4-(bromomethyl)-2-(difluoromethyl)-3-methoxy-6-(trifluoromethoxy)pyridine.

Molecular Properties

Compound Name4-(bromomethyl)-2-(difluoromethyl)-3-methoxy-6-(trifluoromethoxy)pyridine
PubChem CID134668892
Molecular FormulaC9H7BrF5NO2
Molecular Weight336.05 g/mol
Exact Mass334.96
IUPAC Name4-(bromomethyl)-2-(difluoromethyl)-3-methoxy-6-(trifluoromethoxy)pyridine
SMILESCOc1c(CBr)cc(OC(F)(F)F)nc1C(F)F
InChIInChI=1S/C9H7BrF5NO2/c1-17-7-4(3-10)2-5(18-9(13,14)15)16-6(7)8(11)12/h2,8H,3H2,1H3
InChIKeyCTZKHLZGQVFAAM-UHFFFAOYSA-N
XLogP3.82
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.05
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[2-(difluoromethyl)-3-methoxy-6-(trifluoromethoxy)-4-pyridinyl]methanamine
CID 134678172
4-(bromomethyl)-2-(difluoromethyl)-3-methoxy-6-(trifluoromethyl)pyridine
CID 118801682
4-(bromomethyl)-3-(difluoromethyl)-6-(trifluoromethoxy)pyridin-2-amine
CID 119018569
4-(bromomethyl)-6-methoxy-3-(trifluoromethoxy)-2-(trifluoromethyl)pyridine
CID 134671271
4-(difluoromethyl)-2-iodo-3-methoxy-6-(trifluoromethoxy)pyridine
CID 118823728
4-(bromomethyl)-6-(difluoromethyl)-2-iodo-3-(trifluoromethoxy)pyridine
CID 134660867
[2-iodo-3-methoxy-6-(trifluoromethoxy)-4-pyridinyl]methanamine
CID 118807180
methyl 2-(difluoromethyl)-4-iodo-6-(trifluoromethoxy)pyridine-3-carboxylate
CID 134659257
3-(bromomethyl)-2-(difluoromethyl)-6-(trifluoromethoxy)pyridine-4-carboxylic acid
CID 134665192
[3-methoxy-2-methyl-6-(trifluoromethoxy)-4-pyridinyl]methanol
CID 134663125
2-[2-iodo-3-methoxy-6-(trifluoromethoxy)-4-pyridinyl]acetic acid
CID 134675739
[2-(bromomethyl)-3-(difluoromethyl)-6-(trifluoromethoxy)-4-pyridinyl]methanol
CID 134671632

Frequently Asked Questions

What is the IUPAC name of 4-(bromomethyl)-2-(difluoromethyl)-3-methoxy-6-(trifluoromethoxy)pyridine?
The IUPAC name of 4-(bromomethyl)-2-(difluoromethyl)-3-methoxy-6-(trifluoromethoxy)pyridine (CID 134668892) is 4-(bromomethyl)-2-(difluoromethyl)-3-methoxy-6-(trifluoromethoxy)pyridine.
What is the SMILES notation for 4-(bromomethyl)-2-(difluoromethyl)-3-methoxy-6-(trifluoromethoxy)pyridine?
The canonical SMILES for 4-(bromomethyl)-2-(difluoromethyl)-3-methoxy-6-(trifluoromethoxy)pyridine is COc1c(CBr)cc(OC(F)(F)F)nc1C(F)F.
What is the InChIKey of 4-(bromomethyl)-2-(difluoromethyl)-3-methoxy-6-(trifluoromethoxy)pyridine?
The InChIKey is CTZKHLZGQVFAAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7BrF5NO2/c1-17-7-4(3-10)2-5(18-9(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-(trifluoromethoxy)pyridine?
4-(bromomethyl)-2-(difluoromethyl)-3-methoxy-6-(trifluoromethoxy)pyridine has a molecular weight of 336.05 g/mol, XLogP of 3.82, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(bromomethyl)-2-(difluoromethyl)-3-methoxy-6-(trifluoromethoxy)pyridine is sourced from PubChem (CID 134668892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).