3-chloro-2-fluoro-5-(trichloromethyl)pyridine

C6H2Cl4FN — CID 156784234

IUPAC3-chloro-2-fluoro-5-(trichloromethyl)pyridine
SMILESFc1ncc(C(Cl)(Cl)Cl)cc1Cl
InChIInChI=1S/C6H2Cl4FN/c7-4-1-3(6(8,9)10)2-12-5(4)11/h1-2H
InChIKeyKRACTCNOUUECBY-UHFFFAOYSA-N
MW248.90 g/mol
LogP3.70
Rot. Bonds

About 3-chloro-2-fluoro-5-(trichloromethyl)pyridine

3-chloro-2-fluoro-5-(trichloromethyl)pyridine (PubChem CID 156784234) has the molecular formula C6H2Cl4FN and a molecular weight of 248.90 g/mol. Its IUPAC name is 3-chloro-2-fluoro-5-(trichloromethyl)pyridine.

Molecular Properties

Compound Name3-chloro-2-fluoro-5-(trichloromethyl)pyridine
PubChem CID156784234
Molecular FormulaC6H2Cl4FN
Molecular Weight248.90 g/mol
Exact Mass246.89
IUPAC Name3-chloro-2-fluoro-5-(trichloromethyl)pyridine
SMILESFc1ncc(C(Cl)(Cl)Cl)cc1Cl
InChIInChI=1S/C6H2Cl4FN/c7-4-1-3(6(8,9)10)2-12-5(4)11/h1-2H
InChIKeyKRACTCNOUUECBY-UHFFFAOYSA-N
XLogP3.70
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.90
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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

1,2-dichloro-4-(trichloromethyl)benzene
CID 25608
(5-chloro-6-fluoro-3-pyridinyl)boronic acid
CID 71305234
(1R)-1-(5-chloro-6-fluoro-3-pyridinyl)-2,2,2-trifluoroethanamine
CID 131029081
3-chloro-2-fluoro-5-methylsulfonylpyridine
CID 177006540
2-chloro-5-(trichloromethyl)pyridine-3-carbonitrile
CID 5077889
5-chloro-4-fluoro-2-(trichloromethyl)pyrimidine
CID 54399930
2-bromo-3-chloro-5-(trifluoromethyl)pyridine
CID 2736237
3-chloro-2-[2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]ethenyl]-5-(trifluoromethyl)pyridine
CID 53396566
(1R)-1-(5-chloro-6-fluoro-3-pyridinyl)prop-2-en-1-amine
CID 130642219
3-chloro-2-(trifluoromethoxy)-5-(trifluoromethyl)pyridine
CID 175669606
3-chloro-5-(4-chlorobut-1-ynyl)-2-fluoropyridine
CID 170467521
3-chloro-N,N-dimethyl-5-(trifluoromethyl)pyridin-2-amine
CID 14933767

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-fluoro-5-(trichloromethyl)pyridine?
The IUPAC name of 3-chloro-2-fluoro-5-(trichloromethyl)pyridine (CID 156784234) is 3-chloro-2-fluoro-5-(trichloromethyl)pyridine.
What is the SMILES notation for 3-chloro-2-fluoro-5-(trichloromethyl)pyridine?
The canonical SMILES for 3-chloro-2-fluoro-5-(trichloromethyl)pyridine is Fc1ncc(C(Cl)(Cl)Cl)cc1Cl.
What is the InChIKey of 3-chloro-2-fluoro-5-(trichloromethyl)pyridine?
The InChIKey is KRACTCNOUUECBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H2Cl4FN/c7-4-1-3(6(8,9)10)2-12-5(4)11/h1-2H.
What are the key properties of 3-chloro-2-fluoro-5-(trichloromethyl)pyridine?
3-chloro-2-fluoro-5-(trichloromethyl)pyridine has a molecular weight of 248.90 g/mol, XLogP of 3.70, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-fluoro-5-(trichloromethyl)pyridine is sourced from PubChem (CID 156784234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).