3-chloro-5-prop-1-enylpyridine-2-carbonitrile

C9H7ClN2 — CID 66893385

IUPAC3-chloro-5-prop-1-enylpyridine-2-carbonitrile
SMILESCC=Cc1cnc(C#N)c(Cl)c1
InChIInChI=1S/C9H7ClN2/c1-2-3-7-4-8(10)9(5-11)12-6-7/h2-4,6H,1H3
InChIKeyTWJFYZYEZGVNBY-UHFFFAOYSA-N
MW178.62 g/mol
LogP2.64
Rot. Bonds1

About 3-chloro-5-prop-1-enylpyridine-2-carbonitrile

3-chloro-5-prop-1-enylpyridine-2-carbonitrile (PubChem CID 66893385) has the molecular formula C9H7ClN2 and a molecular weight of 178.62 g/mol. Its IUPAC name is 3-chloro-5-prop-1-enylpyridine-2-carbonitrile.

Molecular Properties

Compound Name3-chloro-5-prop-1-enylpyridine-2-carbonitrile
PubChem CID66893385
Molecular FormulaC9H7ClN2
Molecular Weight178.62 g/mol
Exact Mass178.03
IUPAC Name3-chloro-5-prop-1-enylpyridine-2-carbonitrile
SMILESCC=Cc1cnc(C#N)c(Cl)c1
InChIInChI=1S/C9H7ClN2/c1-2-3-7-4-8(10)9(5-11)12-6-7/h2-4,6H,1H3
InChIKeyTWJFYZYEZGVNBY-UHFFFAOYSA-N
XLogP2.64
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.62
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-prop-1-enylpyridine-2-carbonitrile?
The IUPAC name of 3-chloro-5-prop-1-enylpyridine-2-carbonitrile (CID 66893385) is 3-chloro-5-prop-1-enylpyridine-2-carbonitrile.
What is the SMILES notation for 3-chloro-5-prop-1-enylpyridine-2-carbonitrile?
The canonical SMILES for 3-chloro-5-prop-1-enylpyridine-2-carbonitrile is CC=Cc1cnc(C#N)c(Cl)c1.
What is the InChIKey of 3-chloro-5-prop-1-enylpyridine-2-carbonitrile?
The InChIKey is TWJFYZYEZGVNBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClN2/c1-2-3-7-4-8(10)9(5-11)12-6-7/h2-4,6H,1H3.
What are the key properties of 3-chloro-5-prop-1-enylpyridine-2-carbonitrile?
3-chloro-5-prop-1-enylpyridine-2-carbonitrile has a molecular weight of 178.62 g/mol, XLogP of 2.64, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-prop-1-enylpyridine-2-carbonitrile is sourced from PubChem (CID 66893385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).