2-[5-chloro-2-(cyanomethyl)-3-pyridinyl]acetonitrile

C9H6ClN3 — CID 55266700

IUPAC2-[5-chloro-2-(cyanomethyl)-3-pyridinyl]acetonitrile
SMILESN#CCc1cc(Cl)cnc1CC#N
InChIInChI=1S/C9H6ClN3/c10-8-5-7(1-3-11)9(2-4-12)13-6-8/h5-6H,1-2H2
InChIKeyIIIMTSSNOBOKSQ-UHFFFAOYSA-N
MW191.62 g/mol
LogP1.87
Rot. Bonds2

About 2-[5-chloro-2-(cyanomethyl)-3-pyridinyl]acetonitrile

2-[5-chloro-2-(cyanomethyl)-3-pyridinyl]acetonitrile (PubChem CID 55266700) has the molecular formula C9H6ClN3 and a molecular weight of 191.62 g/mol. Its IUPAC name is 2-[5-chloro-2-(cyanomethyl)-3-pyridinyl]acetonitrile.

Molecular Properties

Compound Name2-[5-chloro-2-(cyanomethyl)-3-pyridinyl]acetonitrile
PubChem CID55266700
Molecular FormulaC9H6ClN3
Molecular Weight191.62 g/mol
Exact Mass191.03
IUPAC Name2-[5-chloro-2-(cyanomethyl)-3-pyridinyl]acetonitrile
SMILESN#CCc1cc(Cl)cnc1CC#N
InChIInChI=1S/C9H6ClN3/c10-8-5-7(1-3-11)9(2-4-12)13-6-8/h5-6H,1-2H2
InChIKeyIIIMTSSNOBOKSQ-UHFFFAOYSA-N
XLogP1.87
TPSA60.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.62
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,5-dichloro-4-pyridinyl)acetonitrile
CID 84770229
2-(6-chloro-4-fluoro-3-pyridinyl)acetonitrile
CID 119024596
3-(aminomethyl)-5-chloropyridine-2-carbonitrile
CID 122605010
2-(4-chloro-6-fluoro-3-pyridinyl)acetonitrile
CID 130895640
2-[3-chloro-5-(2,4-dichlorophenyl)-2-pyridinyl]acetonitrile
CID 133094476
2-(3,5-diiodo-2-pyridinyl)acetonitrile
CID 133057014
2-(2,3-dibromo-5-chlorophenyl)acetonitrile
CID 171009483
2-[2,5-bis(2,4,6-trichlorophenyl)-3-pyridinyl]acetonitrile
CID 134635727
2-[2-amino-5-(2,4,6-trichlorophenyl)-3-pyridinyl]acetonitrile
CID 134618494
2-[5-amino-2-(3,5-dichlorophenyl)-4-pyridinyl]acetonitrile
CID 133094441
2-[5-fluoro-3-(2,4,5-trichlorophenyl)-2-pyridinyl]acetonitrile
CID 133093945
2-(2-bromo-6-chloro-1H-benzimidazol-4-yl)acetonitrile
CID 130781560

Frequently Asked Questions

What is the IUPAC name of 2-[5-chloro-2-(cyanomethyl)-3-pyridinyl]acetonitrile?
The IUPAC name of 2-[5-chloro-2-(cyanomethyl)-3-pyridinyl]acetonitrile (CID 55266700) is 2-[5-chloro-2-(cyanomethyl)-3-pyridinyl]acetonitrile.
What is the SMILES notation for 2-[5-chloro-2-(cyanomethyl)-3-pyridinyl]acetonitrile?
The canonical SMILES for 2-[5-chloro-2-(cyanomethyl)-3-pyridinyl]acetonitrile is N#CCc1cc(Cl)cnc1CC#N.
What is the InChIKey of 2-[5-chloro-2-(cyanomethyl)-3-pyridinyl]acetonitrile?
The InChIKey is IIIMTSSNOBOKSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6ClN3/c10-8-5-7(1-3-11)9(2-4-12)13-6-8/h5-6H,1-2H2.
What are the key properties of 2-[5-chloro-2-(cyanomethyl)-3-pyridinyl]acetonitrile?
2-[5-chloro-2-(cyanomethyl)-3-pyridinyl]acetonitrile has a molecular weight of 191.62 g/mol, XLogP of 1.87, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-chloro-2-(cyanomethyl)-3-pyridinyl]acetonitrile is sourced from PubChem (CID 55266700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).