3,6-dichloro-4-(difluoromethyl)-2-fluoropyridine

C6H2Cl2F3N — CID 130099205

IUPAC3,6-dichloro-4-(difluoromethyl)-2-fluoropyridine
SMILESFc1nc(Cl)cc(C(F)F)c1Cl
InChIInChI=1S/C6H2Cl2F3N/c7-3-1-2(5(9)10)4(8)6(11)12-3/h1,5H
InChIKeyBKQJNFQCKPVGKF-UHFFFAOYSA-N
MW215.99 g/mol
LogP3.47
Rot. Bonds1

About 3,6-dichloro-4-(difluoromethyl)-2-fluoropyridine

3,6-dichloro-4-(difluoromethyl)-2-fluoropyridine (PubChem CID 130099205) has the molecular formula C6H2Cl2F3N and a molecular weight of 215.99 g/mol. Its IUPAC name is 3,6-dichloro-4-(difluoromethyl)-2-fluoropyridine.

Molecular Properties

Compound Name3,6-dichloro-4-(difluoromethyl)-2-fluoropyridine
PubChem CID130099205
Molecular FormulaC6H2Cl2F3N
Molecular Weight215.99 g/mol
Exact Mass214.95
IUPAC Name3,6-dichloro-4-(difluoromethyl)-2-fluoropyridine
SMILESFc1nc(Cl)cc(C(F)F)c1Cl
InChIInChI=1S/C6H2Cl2F3N/c7-3-1-2(5(9)10)4(8)6(11)12-3/h1,5H
InChIKeyBKQJNFQCKPVGKF-UHFFFAOYSA-N
XLogP3.47
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.99
LogP ≤ 53.47
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

6-chloro-4-(difluoromethyl)-2-fluoropyridin-3-amine
CID 130102458
[5-chloro-4-(difluoromethyl)-6-fluoro-2-pyridinyl]methanamine
CID 130071688
6-chloro-4-(difluoromethyl)-2-fluoropyridine-3-carboxamide
CID 130072196
2-[6-chloro-4-(difluoromethyl)-2-fluoro-3-pyridinyl]acetonitrile
CID 130071857
3-chloro-2-(chloromethyl)-4-(difluoromethyl)-6-fluoropyridine
CID 130071789
6-chloro-4-(difluoromethyl)-3-fluoropyridine-2-carbonitrile
CID 130070893
2-bromo-6-chloro-3-(chloromethyl)-4-(difluoromethyl)pyridine
CID 119001903
3,4-dichloro-5-(difluoromethyl)-2-fluoropyridine
CID 130099211
3-chloro-4-(difluoromethyl)-6-fluoropyridine-2-carbonitrile
CID 130070896
6-chloro-4-(difluoromethyl)-2-(trifluoromethyl)pyridin-3-amine
CID 130102782
6-chloro-5-(difluoromethyl)-2-fluoropyridin-3-amine
CID 130102456
[3-bromo-6-chloro-4-(difluoromethyl)-2-pyridinyl]methanamine
CID 118848182

Frequently Asked Questions

What is the IUPAC name of 3,6-dichloro-4-(difluoromethyl)-2-fluoropyridine?
The IUPAC name of 3,6-dichloro-4-(difluoromethyl)-2-fluoropyridine (CID 130099205) is 3,6-dichloro-4-(difluoromethyl)-2-fluoropyridine.
What is the SMILES notation for 3,6-dichloro-4-(difluoromethyl)-2-fluoropyridine?
The canonical SMILES for 3,6-dichloro-4-(difluoromethyl)-2-fluoropyridine is Fc1nc(Cl)cc(C(F)F)c1Cl.
What is the InChIKey of 3,6-dichloro-4-(difluoromethyl)-2-fluoropyridine?
The InChIKey is BKQJNFQCKPVGKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H2Cl2F3N/c7-3-1-2(5(9)10)4(8)6(11)12-3/h1,5H.
What are the key properties of 3,6-dichloro-4-(difluoromethyl)-2-fluoropyridine?
3,6-dichloro-4-(difluoromethyl)-2-fluoropyridine has a molecular weight of 215.99 g/mol, XLogP of 3.47, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dichloro-4-(difluoromethyl)-2-fluoropyridine is sourced from PubChem (CID 130099205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).