3-chloro-2-(2,4-dichlorophenoxy)pyridine-4-carbonitrile

C12H5Cl3N2O — CID 107058848

IUPAC3-chloro-2-(2,4-dichlorophenoxy)pyridine-4-carbonitrile
SMILESN#Cc1ccnc(Oc2ccc(Cl)cc2Cl)c1Cl
InChIInChI=1S/C12H5Cl3N2O/c13-8-1-2-10(9(14)5-8)18-12-11(15)7(6-16)3-4-17-12/h1-5H
InChIKeyUYOOTBQVFAXGKC-UHFFFAOYSA-N
MW299.54 g/mol
LogP4.71
Rot. Bonds2

About 3-chloro-2-(2,4-dichlorophenoxy)pyridine-4-carbonitrile

3-chloro-2-(2,4-dichlorophenoxy)pyridine-4-carbonitrile (PubChem CID 107058848) has the molecular formula C12H5Cl3N2O and a molecular weight of 299.54 g/mol. Its IUPAC name is 3-chloro-2-(2,4-dichlorophenoxy)pyridine-4-carbonitrile.

Molecular Properties

Compound Name3-chloro-2-(2,4-dichlorophenoxy)pyridine-4-carbonitrile
PubChem CID107058848
Molecular FormulaC12H5Cl3N2O
Molecular Weight299.54 g/mol
Exact Mass297.95
IUPAC Name3-chloro-2-(2,4-dichlorophenoxy)pyridine-4-carbonitrile
SMILESN#Cc1ccnc(Oc2ccc(Cl)cc2Cl)c1Cl
InChIInChI=1S/C12H5Cl3N2O/c13-8-1-2-10(9(14)5-8)18-12-11(15)7(6-16)3-4-17-12/h1-5H
InChIKeyUYOOTBQVFAXGKC-UHFFFAOYSA-N
XLogP4.71
TPSA45.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.54
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-2-(2-chloro-5-methylphenoxy)pyridine-4-carbonitrile
CID 107058950
3-(2,4-dichlorophenoxy)pyridazine-4-carbonitrile
CID 80510174
2-(2-tert-butyl-5-methylphenoxy)-3-chloropyridine-4-carbonitrile
CID 107058931
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
2-(4-amino-2-prop-2-enylphenoxy)-3-chloropyridine-4-carbonitrile
CID 107061102
3-chloro-2-(2-propoxyphenoxy)pyridine-4-carbonitrile
CID 107058762

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-(2,4-dichlorophenoxy)pyridine-4-carbonitrile?
The IUPAC name of 3-chloro-2-(2,4-dichlorophenoxy)pyridine-4-carbonitrile (CID 107058848) is 3-chloro-2-(2,4-dichlorophenoxy)pyridine-4-carbonitrile.
What is the SMILES notation for 3-chloro-2-(2,4-dichlorophenoxy)pyridine-4-carbonitrile?
The canonical SMILES for 3-chloro-2-(2,4-dichlorophenoxy)pyridine-4-carbonitrile is N#Cc1ccnc(Oc2ccc(Cl)cc2Cl)c1Cl.
What is the InChIKey of 3-chloro-2-(2,4-dichlorophenoxy)pyridine-4-carbonitrile?
The InChIKey is UYOOTBQVFAXGKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H5Cl3N2O/c13-8-1-2-10(9(14)5-8)18-12-11(15)7(6-16)3-4-17-12/h1-5H.
What are the key properties of 3-chloro-2-(2,4-dichlorophenoxy)pyridine-4-carbonitrile?
3-chloro-2-(2,4-dichlorophenoxy)pyridine-4-carbonitrile has a molecular weight of 299.54 g/mol, XLogP of 4.71, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-(2,4-dichlorophenoxy)pyridine-4-carbonitrile is sourced from PubChem (CID 107058848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).