2-chloro-5-(2,6-dimethyl-4-pyridinyl)pyridine-3-carbonitrile

C13H10ClN3 — CID 20517022

IUPAC2-chloro-5-(2,6-dimethyl-4-pyridinyl)pyridine-3-carbonitrile
SMILESCc1cc(-c2cnc(Cl)c(C#N)c2)cc(C)n1
InChIInChI=1S/C13H10ClN3/c1-8-3-10(4-9(2)17-8)12-5-11(6-15)13(14)16-7-12/h3-5,7H,1-2H3
InChIKeyYWGMWPKWKVFDBB-UHFFFAOYSA-N
MW243.70 g/mol
LogP3.29
Rot. Bonds1

About 2-chloro-5-(2,6-dimethyl-4-pyridinyl)pyridine-3-carbonitrile

2-chloro-5-(2,6-dimethyl-4-pyridinyl)pyridine-3-carbonitrile (PubChem CID 20517022) has the molecular formula C13H10ClN3 and a molecular weight of 243.70 g/mol. Its IUPAC name is 2-chloro-5-(2,6-dimethyl-4-pyridinyl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-chloro-5-(2,6-dimethyl-4-pyridinyl)pyridine-3-carbonitrile
PubChem CID20517022
Molecular FormulaC13H10ClN3
Molecular Weight243.70 g/mol
Exact Mass243.06
IUPAC Name2-chloro-5-(2,6-dimethyl-4-pyridinyl)pyridine-3-carbonitrile
SMILESCc1cc(-c2cnc(Cl)c(C#N)c2)cc(C)n1
InChIInChI=1S/C13H10ClN3/c1-8-3-10(4-9(2)17-8)12-5-11(6-15)13(14)16-7-12/h3-5,7H,1-2H3
InChIKeyYWGMWPKWKVFDBB-UHFFFAOYSA-N
XLogP3.29
TPSA49.57 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.70
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-(2,6-dimethyl-4-pyridinyl)pyridine-3-carbonitrile?
The IUPAC name of 2-chloro-5-(2,6-dimethyl-4-pyridinyl)pyridine-3-carbonitrile (CID 20517022) is 2-chloro-5-(2,6-dimethyl-4-pyridinyl)pyridine-3-carbonitrile.
What is the SMILES notation for 2-chloro-5-(2,6-dimethyl-4-pyridinyl)pyridine-3-carbonitrile?
The canonical SMILES for 2-chloro-5-(2,6-dimethyl-4-pyridinyl)pyridine-3-carbonitrile is Cc1cc(-c2cnc(Cl)c(C#N)c2)cc(C)n1.
What is the InChIKey of 2-chloro-5-(2,6-dimethyl-4-pyridinyl)pyridine-3-carbonitrile?
The InChIKey is YWGMWPKWKVFDBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClN3/c1-8-3-10(4-9(2)17-8)12-5-11(6-15)13(14)16-7-12/h3-5,7H,1-2H3.
What are the key properties of 2-chloro-5-(2,6-dimethyl-4-pyridinyl)pyridine-3-carbonitrile?
2-chloro-5-(2,6-dimethyl-4-pyridinyl)pyridine-3-carbonitrile has a molecular weight of 243.70 g/mol, XLogP of 3.29, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-(2,6-dimethyl-4-pyridinyl)pyridine-3-carbonitrile is sourced from PubChem (CID 20517022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).