4-chloro-2,3-dihydropyridine-2-carbonitrile

C6H5ClN2 — CID 121441016

IUPAC4-chloro-2,3-dihydropyridine-2-carbonitrile
SMILESN#CC1CC(Cl)=CC=N1
InChIInChI=1S/C6H5ClN2/c7-5-1-2-9-6(3-5)4-8/h1-2,6H,3H2
InChIKeyRDUANZRSOSEONI-UHFFFAOYSA-N
MW140.57 g/mol
LogP1.48
Rot. Bonds

About 4-chloro-2,3-dihydropyridine-2-carbonitrile

4-chloro-2,3-dihydropyridine-2-carbonitrile (PubChem CID 121441016) has the molecular formula C6H5ClN2 and a molecular weight of 140.57 g/mol. Its IUPAC name is 4-chloro-2,3-dihydropyridine-2-carbonitrile.

Molecular Properties

Compound Name4-chloro-2,3-dihydropyridine-2-carbonitrile
PubChem CID121441016
Molecular FormulaC6H5ClN2
Molecular Weight140.57 g/mol
Exact Mass140.01
IUPAC Name4-chloro-2,3-dihydropyridine-2-carbonitrile
SMILESN#CC1CC(Cl)=CC=N1
InChIInChI=1S/C6H5ClN2/c7-5-1-2-9-6(3-5)4-8/h1-2,6H,3H2
InChIKeyRDUANZRSOSEONI-UHFFFAOYSA-N
XLogP1.48
TPSA36.15 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.57
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2,3-dihydropyridine-2-carbonitrile?
The IUPAC name of 4-chloro-2,3-dihydropyridine-2-carbonitrile (CID 121441016) is 4-chloro-2,3-dihydropyridine-2-carbonitrile.
What is the SMILES notation for 4-chloro-2,3-dihydropyridine-2-carbonitrile?
The canonical SMILES for 4-chloro-2,3-dihydropyridine-2-carbonitrile is N#CC1CC(Cl)=CC=N1.
What is the InChIKey of 4-chloro-2,3-dihydropyridine-2-carbonitrile?
The InChIKey is RDUANZRSOSEONI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5ClN2/c7-5-1-2-9-6(3-5)4-8/h1-2,6H,3H2.
What are the key properties of 4-chloro-2,3-dihydropyridine-2-carbonitrile?
4-chloro-2,3-dihydropyridine-2-carbonitrile has a molecular weight of 140.57 g/mol, XLogP of 1.48, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2,3-dihydropyridine-2-carbonitrile is sourced from PubChem (CID 121441016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).