3-chloro-2-(2-propoxyphenoxy)pyridine-4-carbonitrile

C15H13ClN2O2 — CID 107058762

IUPAC3-chloro-2-(2-propoxyphenoxy)pyridine-4-carbonitrile
SMILESCCCOc1ccccc1Oc1nccc(C#N)c1Cl
InChIInChI=1S/C15H13ClN2O2/c1-2-9-19-12-5-3-4-6-13(12)20-15-14(16)11(10-17)7-8-18-15/h3-8H,2,9H2,1H3
InChIKeyIMCHYFDDZMZILZ-UHFFFAOYSA-N
MW288.73 g/mol
LogP4.19
Rot. Bonds5

About 3-chloro-2-(2-propoxyphenoxy)pyridine-4-carbonitrile

3-chloro-2-(2-propoxyphenoxy)pyridine-4-carbonitrile (PubChem CID 107058762) has the molecular formula C15H13ClN2O2 and a molecular weight of 288.73 g/mol. Its IUPAC name is 3-chloro-2-(2-propoxyphenoxy)pyridine-4-carbonitrile.

Molecular Properties

Compound Name3-chloro-2-(2-propoxyphenoxy)pyridine-4-carbonitrile
PubChem CID107058762
Molecular FormulaC15H13ClN2O2
Molecular Weight288.73 g/mol
Exact Mass288.07
IUPAC Name3-chloro-2-(2-propoxyphenoxy)pyridine-4-carbonitrile
SMILESCCCOc1ccccc1Oc1nccc(C#N)c1Cl
InChIInChI=1S/C15H13ClN2O2/c1-2-9-19-12-5-3-4-6-13(12)20-15-14(16)11(10-17)7-8-18-15/h3-8H,2,9H2,1H3
InChIKeyIMCHYFDDZMZILZ-UHFFFAOYSA-N
XLogP4.19
TPSA55.14 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.73
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-aminophenoxy)-3-chloropyridine-4-carbonitrile
CID 107061078
2-(2-butan-2-ylphenoxy)-3-chloropyridine-4-carbonitrile
CID 107058864
3-chloro-2-(3-hydroxynaphthalen-2-yl)oxypyridine-4-carbonitrile
CID 107061464
2-(3-aminopropoxy)-3-chloropyridine-4-carbonitrile
CID 107061653
3-chloro-2-(2-methoxyethoxy)pyridine-4-carbonitrile
CID 107058776
3-chloro-2-(2,4-dichlorophenoxy)pyridine-4-carbonitrile
CID 107058848
3-chloro-2-(2-chloro-5-methylphenoxy)pyridine-4-carbonitrile
CID 107058950
3-methyl-2-(2-propoxyphenoxy)benzonitrile
CID 107107419
3-chloro-2-[(1-methyl-1,2,4-triazol-3-yl)oxy]pyridine-4-carbonitrile
CID 107059219
3-chloro-2-(2-hydroxyethoxy)pyridine-4-carbonitrile
CID 107058885
3-chloro-2-(3,5-dimethoxyphenoxy)pyridine-4-carbonitrile
CID 107058963
3-chloro-2-(2-methylbutan-2-yloxy)pyridine-4-carbonitrile
CID 107058917

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-(2-propoxyphenoxy)pyridine-4-carbonitrile?
The IUPAC name of 3-chloro-2-(2-propoxyphenoxy)pyridine-4-carbonitrile (CID 107058762) is 3-chloro-2-(2-propoxyphenoxy)pyridine-4-carbonitrile.
What is the SMILES notation for 3-chloro-2-(2-propoxyphenoxy)pyridine-4-carbonitrile?
The canonical SMILES for 3-chloro-2-(2-propoxyphenoxy)pyridine-4-carbonitrile is CCCOc1ccccc1Oc1nccc(C#N)c1Cl.
What is the InChIKey of 3-chloro-2-(2-propoxyphenoxy)pyridine-4-carbonitrile?
The InChIKey is IMCHYFDDZMZILZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN2O2/c1-2-9-19-12-5-3-4-6-13(12)20-15-14(16)11(10-17)7-8-18-15/h3-8H,2,9H2,1H3.
What are the key properties of 3-chloro-2-(2-propoxyphenoxy)pyridine-4-carbonitrile?
3-chloro-2-(2-propoxyphenoxy)pyridine-4-carbonitrile has a molecular weight of 288.73 g/mol, XLogP of 4.19, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-(2-propoxyphenoxy)pyridine-4-carbonitrile is sourced from PubChem (CID 107058762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).