2-chloro-6-(difluoromethyl)-4-(trifluoromethyl)pyridine

C7H3ClF5N — CID 119003399

IUPAC2-chloro-6-(difluoromethyl)-4-(trifluoromethyl)pyridine
SMILESFC(F)c1cc(C(F)(F)F)cc(Cl)n1
InChIInChI=1S/C7H3ClF5N/c8-5-2-3(7(11,12)13)1-4(14-5)6(9)10/h1-2,6H
InChIKeyZZKLQTZGQWXMLT-UHFFFAOYSA-N
MW231.55 g/mol
LogP3.69
Rot. Bonds1

About 2-chloro-6-(difluoromethyl)-4-(trifluoromethyl)pyridine

2-chloro-6-(difluoromethyl)-4-(trifluoromethyl)pyridine (PubChem CID 119003399) has the molecular formula C7H3ClF5N and a molecular weight of 231.55 g/mol. Its IUPAC name is 2-chloro-6-(difluoromethyl)-4-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name2-chloro-6-(difluoromethyl)-4-(trifluoromethyl)pyridine
PubChem CID119003399
Molecular FormulaC7H3ClF5N
Molecular Weight231.55 g/mol
Exact Mass230.99
IUPAC Name2-chloro-6-(difluoromethyl)-4-(trifluoromethyl)pyridine
SMILESFC(F)c1cc(C(F)(F)F)cc(Cl)n1
InChIInChI=1S/C7H3ClF5N/c8-5-2-3(7(11,12)13)1-4(14-5)6(9)10/h1-2,6H
InChIKeyZZKLQTZGQWXMLT-UHFFFAOYSA-N
XLogP3.69
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.55
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-6-(dibromomethyl)-4-(trifluoromethyl)pyridine
CID 87869815
2-[6-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-cyanoacetic acid
CID 146289561
4-chloro-2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-6-(difluoromethyl)pyrimidine
CID 103596060
4-amino-2-[6-chloro-4-(trifluoromethyl)-2-pyridinyl]butanal
CID 163628050
1,3-dichloro-2-(difluoromethyl)-5-(trifluoromethyl)benzene
CID 171009487
2-chloro-6-(difluoromethyl)pyridine-4-sulfonyl chloride
CID 130095745
3-chloro-6-(difluoromethyl)-2-methyl-4-(trifluoromethyl)pyridine
CID 134672175
2-chloro-6-(3,5-difluorophenyl)-4-(trifluoromethyl)pyridine
CID 102716375
4-bromo-2-chloro-6-(difluoromethyl)-3-(trifluoromethyl)pyridine
CID 118806264
6-chloro-N-methyl-N-(2-methylbutyl)-4-(trifluoromethyl)pyridin-2-amine
CID 102715487
4,6-dichloro-3-(difluoromethyl)-2-(trifluoromethyl)pyridine
CID 118846674
6-chloro-N-(2,6-dichlorophenyl)-4-(trifluoromethyl)pyridin-2-amine
CID 102715985

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-(difluoromethyl)-4-(trifluoromethyl)pyridine?
The IUPAC name of 2-chloro-6-(difluoromethyl)-4-(trifluoromethyl)pyridine (CID 119003399) is 2-chloro-6-(difluoromethyl)-4-(trifluoromethyl)pyridine.
What is the SMILES notation for 2-chloro-6-(difluoromethyl)-4-(trifluoromethyl)pyridine?
The canonical SMILES for 2-chloro-6-(difluoromethyl)-4-(trifluoromethyl)pyridine is FC(F)c1cc(C(F)(F)F)cc(Cl)n1.
What is the InChIKey of 2-chloro-6-(difluoromethyl)-4-(trifluoromethyl)pyridine?
The InChIKey is ZZKLQTZGQWXMLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3ClF5N/c8-5-2-3(7(11,12)13)1-4(14-5)6(9)10/h1-2,6H.
What are the key properties of 2-chloro-6-(difluoromethyl)-4-(trifluoromethyl)pyridine?
2-chloro-6-(difluoromethyl)-4-(trifluoromethyl)pyridine has a molecular weight of 231.55 g/mol, XLogP of 3.69, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-(difluoromethyl)-4-(trifluoromethyl)pyridine is sourced from PubChem (CID 119003399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).