6-chloro-2,3-dihydropyridine-5-carbonitrile

C6H5ClN2 — CID 88974148

IUPAC6-chloro-2,3-dihydropyridine-5-carbonitrile
SMILESN#CC1=CCCN=C1Cl
InChIInChI=1S/C6H5ClN2/c7-6-5(4-8)2-1-3-9-6/h2H,1,3H2
InChIKeyRLNIOTIZXPBUQJ-UHFFFAOYSA-N
MW140.57 g/mol
LogP1.48
Rot. Bonds

About 6-chloro-2,3-dihydropyridine-5-carbonitrile

6-chloro-2,3-dihydropyridine-5-carbonitrile (PubChem CID 88974148) has the molecular formula C6H5ClN2 and a molecular weight of 140.57 g/mol. Its IUPAC name is 6-chloro-2,3-dihydropyridine-5-carbonitrile.

Molecular Properties

Compound Name6-chloro-2,3-dihydropyridine-5-carbonitrile
PubChem CID88974148
Molecular FormulaC6H5ClN2
Molecular Weight140.57 g/mol
Exact Mass140.01
IUPAC Name6-chloro-2,3-dihydropyridine-5-carbonitrile
SMILESN#CC1=CCCN=C1Cl
InChIInChI=1S/C6H5ClN2/c7-6-5(4-8)2-1-3-9-6/h2H,1,3H2
InChIKeyRLNIOTIZXPBUQJ-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 6-chloro-2,3-dihydropyridine-5-carbonitrile?
The IUPAC name of 6-chloro-2,3-dihydropyridine-5-carbonitrile (CID 88974148) is 6-chloro-2,3-dihydropyridine-5-carbonitrile.
What is the SMILES notation for 6-chloro-2,3-dihydropyridine-5-carbonitrile?
The canonical SMILES for 6-chloro-2,3-dihydropyridine-5-carbonitrile is N#CC1=CCCN=C1Cl.
What is the InChIKey of 6-chloro-2,3-dihydropyridine-5-carbonitrile?
The InChIKey is RLNIOTIZXPBUQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5ClN2/c7-6-5(4-8)2-1-3-9-6/h2H,1,3H2.
What are the key properties of 6-chloro-2,3-dihydropyridine-5-carbonitrile?
6-chloro-2,3-dihydropyridine-5-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 6-chloro-2,3-dihydropyridine-5-carbonitrile is sourced from PubChem (CID 88974148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).