3-chloro-2-(5-chloroquinolin-8-yl)oxypyridine-4-carbonitrile

C15H7Cl2N3O — CID 107058861

IUPAC3-chloro-2-(5-chloroquinolin-8-yl)oxypyridine-4-carbonitrile
SMILESN#Cc1ccnc(Oc2ccc(Cl)c3cccnc23)c1Cl
InChIInChI=1S/C15H7Cl2N3O/c16-11-3-4-12(14-10(11)2-1-6-19-14)21-15-13(17)9(8-18)5-7-20-15/h1-7H
InChIKeyQLAGYTJORVJAOL-UHFFFAOYSA-N
MW316.15 g/mol
LogP4.60
Rot. Bonds2

About 3-chloro-2-(5-chloroquinolin-8-yl)oxypyridine-4-carbonitrile

3-chloro-2-(5-chloroquinolin-8-yl)oxypyridine-4-carbonitrile (PubChem CID 107058861) has the molecular formula C15H7Cl2N3O and a molecular weight of 316.15 g/mol. Its IUPAC name is 3-chloro-2-(5-chloroquinolin-8-yl)oxypyridine-4-carbonitrile.

Molecular Properties

Compound Name3-chloro-2-(5-chloroquinolin-8-yl)oxypyridine-4-carbonitrile
PubChem CID107058861
Molecular FormulaC15H7Cl2N3O
Molecular Weight316.15 g/mol
Exact Mass315.00
IUPAC Name3-chloro-2-(5-chloroquinolin-8-yl)oxypyridine-4-carbonitrile
SMILESN#Cc1ccnc(Oc2ccc(Cl)c3cccnc23)c1Cl
InChIInChI=1S/C15H7Cl2N3O/c16-11-3-4-12(14-10(11)2-1-6-19-14)21-15-13(17)9(8-18)5-7-20-15/h1-7H
InChIKeyQLAGYTJORVJAOL-UHFFFAOYSA-N
XLogP4.60
TPSA58.80 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.15
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-bromo-2-(5-chloroquinolin-8-yl)oxybenzonitrile
CID 114902377
5-amino-2-(5-chloroquinolin-8-yl)oxypyridine-3-carbonitrile
CID 60923164
2-(5-chloroquinolin-8-yl)oxypyridine-4-carbonitrile
CID 24701489
3-chloro-2-(2,4-dichlorophenoxy)pyridine-4-carbonitrile
CID 107058848
2-amino-5-(5-chloroquinolin-8-yl)oxybenzonitrile
CID 115499745
3-chloro-2-(2-chloro-5-methylphenoxy)pyridine-4-carbonitrile
CID 107058950
2-(2-aminophenoxy)-3-chloropyridine-4-carbonitrile
CID 107061078
3-chloro-2-(2-propoxyphenoxy)pyridine-4-carbonitrile
CID 107058762
5-chloro-4-(5-chloroquinolin-8-yl)oxypyrimidin-2-amine
CID 80881381
4-[(3-chloro-4-cyano-2-pyridinyl)oxy]-3-methylbenzoic acid
CID 107672883
[3-(5-chloroquinolin-8-yl)oxypyridazin-4-yl]methanamine
CID 80507747
CID 12945983
CID 12945983

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-(5-chloroquinolin-8-yl)oxypyridine-4-carbonitrile?
The IUPAC name of 3-chloro-2-(5-chloroquinolin-8-yl)oxypyridine-4-carbonitrile (CID 107058861) is 3-chloro-2-(5-chloroquinolin-8-yl)oxypyridine-4-carbonitrile.
What is the SMILES notation for 3-chloro-2-(5-chloroquinolin-8-yl)oxypyridine-4-carbonitrile?
The canonical SMILES for 3-chloro-2-(5-chloroquinolin-8-yl)oxypyridine-4-carbonitrile is N#Cc1ccnc(Oc2ccc(Cl)c3cccnc23)c1Cl.
What is the InChIKey of 3-chloro-2-(5-chloroquinolin-8-yl)oxypyridine-4-carbonitrile?
The InChIKey is QLAGYTJORVJAOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H7Cl2N3O/c16-11-3-4-12(14-10(11)2-1-6-19-14)21-15-13(17)9(8-18)5-7-20-15/h1-7H.
What are the key properties of 3-chloro-2-(5-chloroquinolin-8-yl)oxypyridine-4-carbonitrile?
3-chloro-2-(5-chloroquinolin-8-yl)oxypyridine-4-carbonitrile has a molecular weight of 316.15 g/mol, XLogP of 4.60, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-(5-chloroquinolin-8-yl)oxypyridine-4-carbonitrile is sourced from PubChem (CID 107058861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).