3-(bromomethyl)-2-fluoro-4-(trifluoromethoxy)pyridine

C7H4BrF4NO — CID 130092114

IUPAC3-(bromomethyl)-2-fluoro-4-(trifluoromethoxy)pyridine
SMILESFc1nccc(OC(F)(F)F)c1CBr
InChIInChI=1S/C7H4BrF4NO/c8-3-4-5(14-7(10,11)12)1-2-13-6(4)9/h1-2H,3H2
InChIKeyOAKNLJPEBDNSMS-UHFFFAOYSA-N
MW274.01 g/mol
LogP3.01
Rot. Bonds2

About 3-(bromomethyl)-2-fluoro-4-(trifluoromethoxy)pyridine

3-(bromomethyl)-2-fluoro-4-(trifluoromethoxy)pyridine (PubChem CID 130092114) has the molecular formula C7H4BrF4NO and a molecular weight of 274.01 g/mol. Its IUPAC name is 3-(bromomethyl)-2-fluoro-4-(trifluoromethoxy)pyridine.

Molecular Properties

Compound Name3-(bromomethyl)-2-fluoro-4-(trifluoromethoxy)pyridine
PubChem CID130092114
Molecular FormulaC7H4BrF4NO
Molecular Weight274.01 g/mol
Exact Mass272.94
IUPAC Name3-(bromomethyl)-2-fluoro-4-(trifluoromethoxy)pyridine
SMILESFc1nccc(OC(F)(F)F)c1CBr
InChIInChI=1S/C7H4BrF4NO/c8-3-4-5(14-7(10,11)12)1-2-13-6(4)9/h1-2H,3H2
InChIKeyOAKNLJPEBDNSMS-UHFFFAOYSA-N
XLogP3.01
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.01
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

4-(bromomethyl)-2-fluoro-3-(trifluoromethoxy)pyridine
CID 130092123
3-(bromomethyl)-2-fluoro-4-(trifluoromethoxy)aniline
CID 131369969
[2-iodo-4-(trifluoromethoxy)-3-pyridinyl]methanamine
CID 130092403
2-fluoro-4-(trifluoromethoxy)pyridine-3-carboxylic acid
CID 130092242
2-fluoro-4-(fluoromethyl)-3-(trifluoromethoxy)pyridine
CID 130092162
4-(bromomethyl)-3-fluoro-5-(trifluoromethoxy)pyridine
CID 130092126
2-[2-methoxy-4-(trifluoromethoxy)-3-pyridinyl]acetonitrile
CID 133094960
3-(bromomethyl)-2-iodo-5-(trifluoromethoxy)-4-(trifluoromethyl)pyridine
CID 134667272
4-(bromomethyl)-5-(trifluoromethoxy)-2-(trifluoromethyl)pyridin-3-ol
CID 134665598
2-(bromomethyl)-5-fluoro-3-(trifluoromethoxy)aniline
CID 119011828
2-(aminomethyl)-4-(trifluoromethoxy)pyridin-3-ol
CID 118836970
3-(bromomethyl)-4-methoxy-2-methyl-5-(trifluoromethoxy)pyridine
CID 130113335

Frequently Asked Questions

What is the IUPAC name of 3-(bromomethyl)-2-fluoro-4-(trifluoromethoxy)pyridine?
The IUPAC name of 3-(bromomethyl)-2-fluoro-4-(trifluoromethoxy)pyridine (CID 130092114) is 3-(bromomethyl)-2-fluoro-4-(trifluoromethoxy)pyridine.
What is the SMILES notation for 3-(bromomethyl)-2-fluoro-4-(trifluoromethoxy)pyridine?
The canonical SMILES for 3-(bromomethyl)-2-fluoro-4-(trifluoromethoxy)pyridine is Fc1nccc(OC(F)(F)F)c1CBr.
What is the InChIKey of 3-(bromomethyl)-2-fluoro-4-(trifluoromethoxy)pyridine?
The InChIKey is OAKNLJPEBDNSMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4BrF4NO/c8-3-4-5(14-7(10,11)12)1-2-13-6(4)9/h1-2H,3H2.
What are the key properties of 3-(bromomethyl)-2-fluoro-4-(trifluoromethoxy)pyridine?
3-(bromomethyl)-2-fluoro-4-(trifluoromethoxy)pyridine has a molecular weight of 274.01 g/mol, XLogP of 3.01, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(bromomethyl)-2-fluoro-4-(trifluoromethoxy)pyridine is sourced from PubChem (CID 130092114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).