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

C9H6BrF6NO2 — CID 134671271

IUPAC4-(bromomethyl)-6-methoxy-3-(trifluoromethoxy)-2-(trifluoromethyl)pyridine
SMILESCOc1cc(CBr)c(OC(F)(F)F)c(C(F)(F)F)n1
InChIInChI=1S/C9H6BrF6NO2/c1-18-5-2-4(3-10)6(19-9(14,15)16)7(17-5)8(11,12)13/h2H,3H2,1H3
InChIKeyNGRKANAOGUMJHH-UHFFFAOYSA-N
MW354.04 g/mol
LogP3.90
Rot. Bonds3

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

4-(bromomethyl)-6-methoxy-3-(trifluoromethoxy)-2-(trifluoromethyl)pyridine (PubChem CID 134671271) has the molecular formula C9H6BrF6NO2 and a molecular weight of 354.04 g/mol. Its IUPAC name is 4-(bromomethyl)-6-methoxy-3-(trifluoromethoxy)-2-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name4-(bromomethyl)-6-methoxy-3-(trifluoromethoxy)-2-(trifluoromethyl)pyridine
PubChem CID134671271
Molecular FormulaC9H6BrF6NO2
Molecular Weight354.04 g/mol
Exact Mass352.95
IUPAC Name4-(bromomethyl)-6-methoxy-3-(trifluoromethoxy)-2-(trifluoromethyl)pyridine
SMILESCOc1cc(CBr)c(OC(F)(F)F)c(C(F)(F)F)n1
InChIInChI=1S/C9H6BrF6NO2/c1-18-5-2-4(3-10)6(19-9(14,15)16)7(17-5)8(11,12)13/h2H,3H2,1H3
InChIKeyNGRKANAOGUMJHH-UHFFFAOYSA-N
XLogP3.90
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.04
LogP ≤ 53.90
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

3-(bromomethyl)-6-methoxy-4-(trifluoromethoxy)-2-(trifluoromethyl)pyridine
CID 134669334
4-(bromomethyl)-2-(difluoromethyl)-3-methoxy-6-(trifluoromethoxy)pyridine
CID 134668892
5-(bromomethyl)-4-methoxy-3-(trifluoromethoxy)-2-(trifluoromethyl)pyridine
CID 134660474
4-(fluoromethyl)-6-methoxy-2-methyl-3-(trifluoromethoxy)pyridine
CID 118818475
[3-(bromomethyl)-6-(trifluoromethoxy)-2-(trifluoromethyl)-4-pyridinyl]methanol
CID 134679011
4-iodo-3-methoxy-6-(trifluoromethoxy)-2-(trifluoromethyl)pyridine
CID 134666974
2-[4-(bromomethyl)-6-(trifluoromethoxy)-2-(trifluoromethyl)-3-pyridinyl]acetic acid
CID 134671599
3-(bromomethyl)-6-methoxy-2-(trifluoromethoxy)-4-(trifluoromethyl)pyridine
CID 134671279
4-(chloromethyl)-2-iodo-6-methoxy-3-(trifluoromethoxy)pyridine
CID 130112648
[4-(aminomethyl)-6-methoxy-3-(trifluoromethoxy)-2-pyridinyl]methanol
CID 118812946
2-[4-(bromomethyl)-6-methoxy-5-(trifluoromethoxy)-2-pyridinyl]acetonitrile
CID 118852362
methyl 3-methoxy-6-(trifluoromethoxy)-2-(trifluoromethyl)pyridine-4-carboxylate
CID 134677123

Frequently Asked Questions

What is the IUPAC name of 4-(bromomethyl)-6-methoxy-3-(trifluoromethoxy)-2-(trifluoromethyl)pyridine?
The IUPAC name of 4-(bromomethyl)-6-methoxy-3-(trifluoromethoxy)-2-(trifluoromethyl)pyridine (CID 134671271) is 4-(bromomethyl)-6-methoxy-3-(trifluoromethoxy)-2-(trifluoromethyl)pyridine.
What is the SMILES notation for 4-(bromomethyl)-6-methoxy-3-(trifluoromethoxy)-2-(trifluoromethyl)pyridine?
The canonical SMILES for 4-(bromomethyl)-6-methoxy-3-(trifluoromethoxy)-2-(trifluoromethyl)pyridine is COc1cc(CBr)c(OC(F)(F)F)c(C(F)(F)F)n1.
What is the InChIKey of 4-(bromomethyl)-6-methoxy-3-(trifluoromethoxy)-2-(trifluoromethyl)pyridine?
The InChIKey is NGRKANAOGUMJHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6BrF6NO2/c1-18-5-2-4(3-10)6(19-9(14,15)16)7(17-5)8(11,12)13/h2H,3H2,1H3.
What are the key properties of 4-(bromomethyl)-6-methoxy-3-(trifluoromethoxy)-2-(trifluoromethyl)pyridine?
4-(bromomethyl)-6-methoxy-3-(trifluoromethoxy)-2-(trifluoromethyl)pyridine has a molecular weight of 354.04 g/mol, XLogP of 3.90, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(bromomethyl)-6-methoxy-3-(trifluoromethoxy)-2-(trifluoromethyl)pyridine is sourced from PubChem (CID 134671271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).