3-chloro-6-oxo-1H-pyridine-2-carbonitrile

C6H3ClN2O — CID 84819304

IUPAC3-chloro-6-oxo-1H-pyridine-2-carbonitrile
SMILESN#Cc1[nH]c(=O)ccc1Cl
InChIInChI=1S/C6H3ClN2O/c7-4-1-2-6(10)9-5(4)3-8/h1-2H,(H,9,10)
InChIKeyPFCAEMIYRMVBNY-UHFFFAOYSA-N
MW154.56 g/mol
LogP0.90
Rot. Bonds

About 3-chloro-6-oxo-1H-pyridine-2-carbonitrile

3-chloro-6-oxo-1H-pyridine-2-carbonitrile (PubChem CID 84819304) has the molecular formula C6H3ClN2O and a molecular weight of 154.56 g/mol. Its IUPAC name is 3-chloro-6-oxo-1H-pyridine-2-carbonitrile.

Molecular Properties

Compound Name3-chloro-6-oxo-1H-pyridine-2-carbonitrile
PubChem CID84819304
Molecular FormulaC6H3ClN2O
Molecular Weight154.56 g/mol
Exact Mass153.99
IUPAC Name3-chloro-6-oxo-1H-pyridine-2-carbonitrile
SMILESN#Cc1[nH]c(=O)ccc1Cl
InChIInChI=1S/C6H3ClN2O/c7-4-1-2-6(10)9-5(4)3-8/h1-2H,(H,9,10)
InChIKeyPFCAEMIYRMVBNY-UHFFFAOYSA-N
XLogP0.90
TPSA56.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.56
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-6-oxo-1H-pyridine-2-carbonitrile?
The IUPAC name of 3-chloro-6-oxo-1H-pyridine-2-carbonitrile (CID 84819304) is 3-chloro-6-oxo-1H-pyridine-2-carbonitrile.
What is the SMILES notation for 3-chloro-6-oxo-1H-pyridine-2-carbonitrile?
The canonical SMILES for 3-chloro-6-oxo-1H-pyridine-2-carbonitrile is N#Cc1[nH]c(=O)ccc1Cl.
What is the InChIKey of 3-chloro-6-oxo-1H-pyridine-2-carbonitrile?
The InChIKey is PFCAEMIYRMVBNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3ClN2O/c7-4-1-2-6(10)9-5(4)3-8/h1-2H,(H,9,10).
What are the key properties of 3-chloro-6-oxo-1H-pyridine-2-carbonitrile?
3-chloro-6-oxo-1H-pyridine-2-carbonitrile has a molecular weight of 154.56 g/mol, XLogP of 0.90, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-6-oxo-1H-pyridine-2-carbonitrile is sourced from PubChem (CID 84819304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).