4-chloro-3-fluoropyridine-2-carbonitrile

C6H2ClFN2 — CID 59529765

IUPAC4-chloro-3-fluoropyridine-2-carbonitrile
SMILESN#Cc1nccc(Cl)c1F
InChIInChI=1S/C6H2ClFN2/c7-4-1-2-10-5(3-9)6(4)8/h1-2H
InChIKeyMBJZPNGVCQEXGA-UHFFFAOYSA-N
MW156.55 g/mol
LogP1.75
Rot. Bonds

About 4-chloro-3-fluoropyridine-2-carbonitrile

4-chloro-3-fluoropyridine-2-carbonitrile (PubChem CID 59529765) has the molecular formula C6H2ClFN2 and a molecular weight of 156.55 g/mol. Its IUPAC name is 4-chloro-3-fluoropyridine-2-carbonitrile.

Molecular Properties

Compound Name4-chloro-3-fluoropyridine-2-carbonitrile
PubChem CID59529765
Molecular FormulaC6H2ClFN2
Molecular Weight156.55 g/mol
Exact Mass155.99
IUPAC Name4-chloro-3-fluoropyridine-2-carbonitrile
SMILESN#Cc1nccc(Cl)c1F
InChIInChI=1S/C6H2ClFN2/c7-4-1-2-10-5(3-9)6(4)8/h1-2H
InChIKeyMBJZPNGVCQEXGA-UHFFFAOYSA-N
XLogP1.75
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.55
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-fluoropyridine-2-carbonitrile?
The IUPAC name of 4-chloro-3-fluoropyridine-2-carbonitrile (CID 59529765) is 4-chloro-3-fluoropyridine-2-carbonitrile.
What is the SMILES notation for 4-chloro-3-fluoropyridine-2-carbonitrile?
The canonical SMILES for 4-chloro-3-fluoropyridine-2-carbonitrile is N#Cc1nccc(Cl)c1F.
What is the InChIKey of 4-chloro-3-fluoropyridine-2-carbonitrile?
The InChIKey is MBJZPNGVCQEXGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H2ClFN2/c7-4-1-2-10-5(3-9)6(4)8/h1-2H.
What are the key properties of 4-chloro-3-fluoropyridine-2-carbonitrile?
4-chloro-3-fluoropyridine-2-carbonitrile has a molecular weight of 156.55 g/mol, XLogP of 1.75, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-fluoropyridine-2-carbonitrile is sourced from PubChem (CID 59529765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).