2-chloro-5-(2-methylquinolin-7-yl)pyridine-3-carbonitrile

C16H10ClN3 — CID 46888088

IUPAC2-chloro-5-(2-methylquinolin-7-yl)pyridine-3-carbonitrile
SMILESCc1ccc2ccc(-c3cnc(Cl)c(C#N)c3)cc2n1
InChIInChI=1S/C16H10ClN3/c1-10-2-3-11-4-5-12(7-15(11)20-10)14-6-13(8-18)16(17)19-9-14/h2-7,9H,1H3
InChIKeyFCXAJLFDBPZDJD-UHFFFAOYSA-N
MW279.73 g/mol
LogP4.13
Rot. Bonds1

About 2-chloro-5-(2-methylquinolin-7-yl)pyridine-3-carbonitrile

2-chloro-5-(2-methylquinolin-7-yl)pyridine-3-carbonitrile (PubChem CID 46888088) has the molecular formula C16H10ClN3 and a molecular weight of 279.73 g/mol. Its IUPAC name is 2-chloro-5-(2-methylquinolin-7-yl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-chloro-5-(2-methylquinolin-7-yl)pyridine-3-carbonitrile
PubChem CID46888088
Molecular FormulaC16H10ClN3
Molecular Weight279.73 g/mol
Exact Mass279.06
IUPAC Name2-chloro-5-(2-methylquinolin-7-yl)pyridine-3-carbonitrile
SMILESCc1ccc2ccc(-c3cnc(Cl)c(C#N)c3)cc2n1
InChIInChI=1S/C16H10ClN3/c1-10-2-3-11-4-5-12(7-15(11)20-10)14-6-13(8-18)16(17)19-9-14/h2-7,9H,1H3
InChIKeyFCXAJLFDBPZDJD-UHFFFAOYSA-N
XLogP4.13
TPSA49.57 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.73
LogP ≤ 54.13
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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Related Compounds

4,7-Dimethyl-1,10-phenanthroline
CID 72792
4-Methyl-1,10-phenanthroline
CID 93149
4,7-Phenanthroline
CID 67472
3-Quinolinecarbonitrile
CID 93177
2-Chloro-1,10-phenanthroline
CID 355193
2-Methyl-1,10-phenanthroline
CID 4913356
7-Methylquinoline
CID 11927
4-Chloroquinoline
CID 69140
1,10-Phenanthroline hydrochloride
CID 73350
4-Cyanoquinoline
CID 270566
3-Methyl-1,10-phenanthroline
CID 15783796
2-(2-Pyridinyl)quinoline
CID 609911

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-(2-methylquinolin-7-yl)pyridine-3-carbonitrile?
The IUPAC name of 2-chloro-5-(2-methylquinolin-7-yl)pyridine-3-carbonitrile (CID 46888088) is 2-chloro-5-(2-methylquinolin-7-yl)pyridine-3-carbonitrile.
What is the SMILES notation for 2-chloro-5-(2-methylquinolin-7-yl)pyridine-3-carbonitrile?
The canonical SMILES for 2-chloro-5-(2-methylquinolin-7-yl)pyridine-3-carbonitrile is Cc1ccc2ccc(-c3cnc(Cl)c(C#N)c3)cc2n1.
What is the InChIKey of 2-chloro-5-(2-methylquinolin-7-yl)pyridine-3-carbonitrile?
The InChIKey is FCXAJLFDBPZDJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10ClN3/c1-10-2-3-11-4-5-12(7-15(11)20-10)14-6-13(8-18)16(17)19-9-14/h2-7,9H,1H3.
What are the key properties of 2-chloro-5-(2-methylquinolin-7-yl)pyridine-3-carbonitrile?
2-chloro-5-(2-methylquinolin-7-yl)pyridine-3-carbonitrile has a molecular weight of 279.73 g/mol, XLogP of 4.13, 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-methylquinolin-7-yl)pyridine-3-carbonitrile is sourced from PubChem (CID 46888088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).