4-(chloromethyl)-3-fluoro-2-[4-fluoro-3-(trifluoromethyl)phenoxy]pyridine

C13H7ClF5NO — CID 102747282

IUPAC4-(chloromethyl)-3-fluoro-2-[4-fluoro-3-(trifluoromethyl)phenoxy]pyridine
SMILESFc1ccc(Oc2nccc(CCl)c2F)cc1C(F)(F)F
InChIInChI=1S/C13H7ClF5NO/c14-6-7-3-4-20-12(11(7)16)21-8-1-2-10(15)9(5-8)13(17,18)19/h1-5H,6H2
InChIKeyXTEWUHUBYQJNGH-UHFFFAOYSA-N
MW323.65 g/mol
LogP4.91
Rot. Bonds3

About 4-(chloromethyl)-3-fluoro-2-[4-fluoro-3-(trifluoromethyl)phenoxy]pyridine

4-(chloromethyl)-3-fluoro-2-[4-fluoro-3-(trifluoromethyl)phenoxy]pyridine (PubChem CID 102747282) has the molecular formula C13H7ClF5NO and a molecular weight of 323.65 g/mol. Its IUPAC name is 4-(chloromethyl)-3-fluoro-2-[4-fluoro-3-(trifluoromethyl)phenoxy]pyridine.

Molecular Properties

Compound Name4-(chloromethyl)-3-fluoro-2-[4-fluoro-3-(trifluoromethyl)phenoxy]pyridine
PubChem CID102747282
Molecular FormulaC13H7ClF5NO
Molecular Weight323.65 g/mol
Exact Mass323.01
IUPAC Name4-(chloromethyl)-3-fluoro-2-[4-fluoro-3-(trifluoromethyl)phenoxy]pyridine
SMILESFc1ccc(Oc2nccc(CCl)c2F)cc1C(F)(F)F
InChIInChI=1S/C13H7ClF5NO/c14-6-7-3-4-20-12(11(7)16)21-8-1-2-10(15)9(5-8)13(17,18)19/h1-5H,6H2
InChIKeyXTEWUHUBYQJNGH-UHFFFAOYSA-N
XLogP4.91
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.65
LogP ≤ 54.91
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

4-(chloromethyl)-3-fluoro-2-(4-fluoro-3-methylphenoxy)pyridine
CID 105383893
5-bromo-3-(chloromethyl)-2-[4-fluoro-3-(trifluoromethyl)phenoxy]pyridine
CID 102747278
4-(chloromethyl)-2-(2,3-dihydro-1H-inden-5-yloxy)-3-fluoropyridine
CID 105383825
5-chloro-2-[4-fluoro-3-(trifluoromethyl)phenoxy]pyridin-3-amine
CID 102746895
3-amino-2-[4-fluoro-3-(trifluoromethyl)phenoxy]pyridine-4-carbonitrile
CID 102746886
4-(chloromethyl)-3-fluoro-2-[4-(2-methoxyethyl)phenoxy]pyridine
CID 105383838
5-bromo-3-chloro-2-[4-fluoro-3-(trifluoromethyl)phenoxy]pyridine
CID 103583775
methyl N-[2,4-bis[4-fluoro-3-(trifluoromethyl)phenoxy]-3-pyridinyl]methanimidate
CID 139917700
N-acetyl-N-[2,4-bis[4-fluoro-3-(trifluoromethyl)phenoxy]-3-pyridinyl]acetamide
CID 139917696
4,6-bis[4-fluoro-3-(trifluoromethyl)phenoxy]-N,N-dimethylpyrimidin-5-amine
CID 139845121
4-chloro-6-[4-fluoro-3-(trifluoromethyl)phenoxy]-5-methylpyrimidine;4,6-dichloro-5-methylpyrimidine
CID 157081646
2-(2-bromo-4-chloro-5-fluorophenoxy)-4-(chloromethyl)-3-fluoropyridine
CID 114042760

Frequently Asked Questions

What is the IUPAC name of 4-(chloromethyl)-3-fluoro-2-[4-fluoro-3-(trifluoromethyl)phenoxy]pyridine?
The IUPAC name of 4-(chloromethyl)-3-fluoro-2-[4-fluoro-3-(trifluoromethyl)phenoxy]pyridine (CID 102747282) is 4-(chloromethyl)-3-fluoro-2-[4-fluoro-3-(trifluoromethyl)phenoxy]pyridine.
What is the SMILES notation for 4-(chloromethyl)-3-fluoro-2-[4-fluoro-3-(trifluoromethyl)phenoxy]pyridine?
The canonical SMILES for 4-(chloromethyl)-3-fluoro-2-[4-fluoro-3-(trifluoromethyl)phenoxy]pyridine is Fc1ccc(Oc2nccc(CCl)c2F)cc1C(F)(F)F.
What is the InChIKey of 4-(chloromethyl)-3-fluoro-2-[4-fluoro-3-(trifluoromethyl)phenoxy]pyridine?
The InChIKey is XTEWUHUBYQJNGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7ClF5NO/c14-6-7-3-4-20-12(11(7)16)21-8-1-2-10(15)9(5-8)13(17,18)19/h1-5H,6H2.
What are the key properties of 4-(chloromethyl)-3-fluoro-2-[4-fluoro-3-(trifluoromethyl)phenoxy]pyridine?
4-(chloromethyl)-3-fluoro-2-[4-fluoro-3-(trifluoromethyl)phenoxy]pyridine has a molecular weight of 323.65 g/mol, XLogP of 4.91, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(chloromethyl)-3-fluoro-2-[4-fluoro-3-(trifluoromethyl)phenoxy]pyridine is sourced from PubChem (CID 102747282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).