3-chloro-2-(2-chloro-5-methylphenoxy)pyridine-4-carbonitrile

C13H8Cl2N2O — CID 107058950

IUPAC3-chloro-2-(2-chloro-5-methylphenoxy)pyridine-4-carbonitrile
SMILESCc1ccc(Cl)c(Oc2nccc(C#N)c2Cl)c1
InChIInChI=1S/C13H8Cl2N2O/c1-8-2-3-10(14)11(6-8)18-13-12(15)9(7-16)4-5-17-13/h2-6H,1H3
InChIKeyOFYIIRUQVUQINQ-UHFFFAOYSA-N
MW279.13 g/mol
LogP4.36
Rot. Bonds2

About 3-chloro-2-(2-chloro-5-methylphenoxy)pyridine-4-carbonitrile

3-chloro-2-(2-chloro-5-methylphenoxy)pyridine-4-carbonitrile (PubChem CID 107058950) has the molecular formula C13H8Cl2N2O and a molecular weight of 279.13 g/mol. Its IUPAC name is 3-chloro-2-(2-chloro-5-methylphenoxy)pyridine-4-carbonitrile.

Molecular Properties

Compound Name3-chloro-2-(2-chloro-5-methylphenoxy)pyridine-4-carbonitrile
PubChem CID107058950
Molecular FormulaC13H8Cl2N2O
Molecular Weight279.13 g/mol
Exact Mass278.00
IUPAC Name3-chloro-2-(2-chloro-5-methylphenoxy)pyridine-4-carbonitrile
SMILESCc1ccc(Cl)c(Oc2nccc(C#N)c2Cl)c1
InChIInChI=1S/C13H8Cl2N2O/c1-8-2-3-10(14)11(6-8)18-13-12(15)9(7-16)4-5-17-13/h2-6H,1H3
InChIKeyOFYIIRUQVUQINQ-UHFFFAOYSA-N
XLogP4.36
TPSA45.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.13
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-tert-butyl-5-methylphenoxy)-3-chloropyridine-4-carbonitrile
CID 107058931
3-chloro-2-(2,4-dichlorophenoxy)pyridine-4-carbonitrile
CID 107058848
2-(2-chloro-5-methylphenoxy)-5-methylbenzonitrile
CID 107928144
3-chloro-2-(3,5-dimethoxyphenoxy)pyridine-4-carbonitrile
CID 107058963
3-chloro-2-(4-chloro-3-fluorophenoxy)pyridine-4-carbonitrile
CID 107059136
3-chloro-2-(5-chloroquinolin-8-yl)oxypyridine-4-carbonitrile
CID 107058861
2-(2-aminophenoxy)-3-chloropyridine-4-carbonitrile
CID 107061078
4-[(3-chloro-4-cyano-2-pyridinyl)oxy]-3-methylbenzoic acid
CID 107672883
3-chloro-2-[(1-methyl-1,2,4-triazol-3-yl)oxy]pyridine-4-carbonitrile
CID 107059219
3-chloro-2-(3-hydroxynaphthalen-2-yl)oxypyridine-4-carbonitrile
CID 107061464
3-chloro-2-(2-chloro-5-methylanilino)pyridine-4-carbonitrile
CID 107635144
3-chloro-2-(2-propoxyphenoxy)pyridine-4-carbonitrile
CID 107058762

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-(2-chloro-5-methylphenoxy)pyridine-4-carbonitrile?
The IUPAC name of 3-chloro-2-(2-chloro-5-methylphenoxy)pyridine-4-carbonitrile (CID 107058950) is 3-chloro-2-(2-chloro-5-methylphenoxy)pyridine-4-carbonitrile.
What is the SMILES notation for 3-chloro-2-(2-chloro-5-methylphenoxy)pyridine-4-carbonitrile?
The canonical SMILES for 3-chloro-2-(2-chloro-5-methylphenoxy)pyridine-4-carbonitrile is Cc1ccc(Cl)c(Oc2nccc(C#N)c2Cl)c1.
What is the InChIKey of 3-chloro-2-(2-chloro-5-methylphenoxy)pyridine-4-carbonitrile?
The InChIKey is OFYIIRUQVUQINQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8Cl2N2O/c1-8-2-3-10(14)11(6-8)18-13-12(15)9(7-16)4-5-17-13/h2-6H,1H3.
What are the key properties of 3-chloro-2-(2-chloro-5-methylphenoxy)pyridine-4-carbonitrile?
3-chloro-2-(2-chloro-5-methylphenoxy)pyridine-4-carbonitrile has a molecular weight of 279.13 g/mol, XLogP of 4.36, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-(2-chloro-5-methylphenoxy)pyridine-4-carbonitrile is sourced from PubChem (CID 107058950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).