3,5-dichloro-2-fluoropyridine-4-carbonitrile

C6HCl2FN2 — CID 66926931

IUPAC3,5-dichloro-2-fluoropyridine-4-carbonitrile
SMILESN#Cc1c(Cl)cnc(F)c1Cl
InChIInChI=1S/C6HCl2FN2/c7-4-2-11-6(9)5(8)3(4)1-10/h2H
InChIKeyDOTBDSJCKJRABF-UHFFFAOYSA-N
MW190.99 g/mol
LogP2.40
Rot. Bonds

About 3,5-dichloro-2-fluoropyridine-4-carbonitrile

3,5-dichloro-2-fluoropyridine-4-carbonitrile (PubChem CID 66926931) has the molecular formula C6HCl2FN2 and a molecular weight of 190.99 g/mol. Its IUPAC name is 3,5-dichloro-2-fluoropyridine-4-carbonitrile.

Molecular Properties

Compound Name3,5-dichloro-2-fluoropyridine-4-carbonitrile
PubChem CID66926931
Molecular FormulaC6HCl2FN2
Molecular Weight190.99 g/mol
Exact Mass189.95
IUPAC Name3,5-dichloro-2-fluoropyridine-4-carbonitrile
SMILESN#Cc1c(Cl)cnc(F)c1Cl
InChIInChI=1S/C6HCl2FN2/c7-4-2-11-6(9)5(8)3(4)1-10/h2H
InChIKeyDOTBDSJCKJRABF-UHFFFAOYSA-N
XLogP2.40
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.99
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-2-fluoropyridine-4-carbonitrile?
The IUPAC name of 3,5-dichloro-2-fluoropyridine-4-carbonitrile (CID 66926931) is 3,5-dichloro-2-fluoropyridine-4-carbonitrile.
What is the SMILES notation for 3,5-dichloro-2-fluoropyridine-4-carbonitrile?
The canonical SMILES for 3,5-dichloro-2-fluoropyridine-4-carbonitrile is N#Cc1c(Cl)cnc(F)c1Cl.
What is the InChIKey of 3,5-dichloro-2-fluoropyridine-4-carbonitrile?
The InChIKey is DOTBDSJCKJRABF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6HCl2FN2/c7-4-2-11-6(9)5(8)3(4)1-10/h2H.
What are the key properties of 3,5-dichloro-2-fluoropyridine-4-carbonitrile?
3,5-dichloro-2-fluoropyridine-4-carbonitrile has a molecular weight of 190.99 g/mol, XLogP of 2.40, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-2-fluoropyridine-4-carbonitrile is sourced from PubChem (CID 66926931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).