2,6-dichloro-5-fluoropyridine-3-carbonitrile

C6HCl2FN2 — CID 2733849

IUPAC2,6-dichloro-5-fluoropyridine-3-carbonitrile
SMILESN#Cc1cc(F)c(Cl)nc1Cl
InChIInChI=1S/C6HCl2FN2/c7-5-3(2-10)1-4(9)6(8)11-5/h1H
InChIKeyDEDKKOOGYIMMBC-UHFFFAOYSA-N
MW190.99 g/mol
LogP2.40
Rot. Bonds

About 2,6-dichloro-5-fluoropyridine-3-carbonitrile

2,6-dichloro-5-fluoropyridine-3-carbonitrile (PubChem CID 2733849) has the molecular formula C6HCl2FN2 and a molecular weight of 190.99 g/mol. Its IUPAC name is 2,6-dichloro-5-fluoropyridine-3-carbonitrile.

Molecular Properties

Compound Name2,6-dichloro-5-fluoropyridine-3-carbonitrile
PubChem CID2733849
Molecular FormulaC6HCl2FN2
Molecular Weight190.99 g/mol
Exact Mass189.95
IUPAC Name2,6-dichloro-5-fluoropyridine-3-carbonitrile
SMILESN#Cc1cc(F)c(Cl)nc1Cl
InChIInChI=1S/C6HCl2FN2/c7-5-3(2-10)1-4(9)6(8)11-5/h1H
InChIKeyDEDKKOOGYIMMBC-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 2,6-dichloro-5-fluoropyridine-3-carbonitrile?
The IUPAC name of 2,6-dichloro-5-fluoropyridine-3-carbonitrile (CID 2733849) is 2,6-dichloro-5-fluoropyridine-3-carbonitrile.
What is the SMILES notation for 2,6-dichloro-5-fluoropyridine-3-carbonitrile?
The canonical SMILES for 2,6-dichloro-5-fluoropyridine-3-carbonitrile is N#Cc1cc(F)c(Cl)nc1Cl.
What is the InChIKey of 2,6-dichloro-5-fluoropyridine-3-carbonitrile?
The InChIKey is DEDKKOOGYIMMBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6HCl2FN2/c7-5-3(2-10)1-4(9)6(8)11-5/h1H.
What are the key properties of 2,6-dichloro-5-fluoropyridine-3-carbonitrile?
2,6-dichloro-5-fluoropyridine-3-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 2,6-dichloro-5-fluoropyridine-3-carbonitrile is sourced from PubChem (CID 2733849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).