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

C12H5Cl2FN2O — CID 107059136

IUPAC3-chloro-2-(4-chloro-3-fluorophenoxy)pyridine-4-carbonitrile
SMILESN#Cc1ccnc(Oc2ccc(Cl)c(F)c2)c1Cl
InChIInChI=1S/C12H5Cl2FN2O/c13-9-2-1-8(5-10(9)15)18-12-11(14)7(6-16)3-4-17-12/h1-5H
InChIKeyUMJBRBMOHNMSIH-UHFFFAOYSA-N
MW283.09 g/mol
LogP4.19
Rot. Bonds2

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

3-chloro-2-(4-chloro-3-fluorophenoxy)pyridine-4-carbonitrile (PubChem CID 107059136) has the molecular formula C12H5Cl2FN2O and a molecular weight of 283.09 g/mol. Its IUPAC name is 3-chloro-2-(4-chloro-3-fluorophenoxy)pyridine-4-carbonitrile.

Molecular Properties

Compound Name3-chloro-2-(4-chloro-3-fluorophenoxy)pyridine-4-carbonitrile
PubChem CID107059136
Molecular FormulaC12H5Cl2FN2O
Molecular Weight283.09 g/mol
Exact Mass281.98
IUPAC Name3-chloro-2-(4-chloro-3-fluorophenoxy)pyridine-4-carbonitrile
SMILESN#Cc1ccnc(Oc2ccc(Cl)c(F)c2)c1Cl
InChIInChI=1S/C12H5Cl2FN2O/c13-9-2-1-8(5-10(9)15)18-12-11(14)7(6-16)3-4-17-12/h1-5H
InChIKeyUMJBRBMOHNMSIH-UHFFFAOYSA-N
XLogP4.19
TPSA45.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.09
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-2-(3,5-dimethoxyphenoxy)pyridine-4-carbonitrile
CID 107058963
2-(3-bromophenoxy)-3-chloropyridine-4-carbonitrile
CID 107058844
3-chloro-2-(2,4-dichlorophenoxy)pyridine-4-carbonitrile
CID 107058848
3-chloro-2-(2-chloro-5-methylphenoxy)pyridine-4-carbonitrile
CID 107058950
3-chloro-2-[4-(methylamino)phenoxy]pyridine-4-carbonitrile
CID 107061466
2-(4-chloro-3-fluorophenoxy)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
CID 82716485
3-(3-chloro-4-fluorophenoxy)pyrazine-2-carbonitrile
CID 55220356
2-(4-chloro-3-fluorophenoxy)-4,6-dimethylpyridine-3-carbonitrile
CID 82717285
3-chloro-2-(3-hydroxynaphthalen-2-yl)oxypyridine-4-carbonitrile
CID 107061464
3-chloro-2-(5-chloroquinolin-8-yl)oxypyridine-4-carbonitrile
CID 107058861
3-amino-2-[4-fluoro-3-(trifluoromethyl)phenoxy]pyridine-4-carbonitrile
CID 102746886
4-[(6-amino-3,5-dichloro-2-pyridinyl)oxy]-2-fluorobenzonitrile
CID 102761068

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-(4-chloro-3-fluorophenoxy)pyridine-4-carbonitrile?
The IUPAC name of 3-chloro-2-(4-chloro-3-fluorophenoxy)pyridine-4-carbonitrile (CID 107059136) is 3-chloro-2-(4-chloro-3-fluorophenoxy)pyridine-4-carbonitrile.
What is the SMILES notation for 3-chloro-2-(4-chloro-3-fluorophenoxy)pyridine-4-carbonitrile?
The canonical SMILES for 3-chloro-2-(4-chloro-3-fluorophenoxy)pyridine-4-carbonitrile is N#Cc1ccnc(Oc2ccc(Cl)c(F)c2)c1Cl.
What is the InChIKey of 3-chloro-2-(4-chloro-3-fluorophenoxy)pyridine-4-carbonitrile?
The InChIKey is UMJBRBMOHNMSIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H5Cl2FN2O/c13-9-2-1-8(5-10(9)15)18-12-11(14)7(6-16)3-4-17-12/h1-5H.
What are the key properties of 3-chloro-2-(4-chloro-3-fluorophenoxy)pyridine-4-carbonitrile?
3-chloro-2-(4-chloro-3-fluorophenoxy)pyridine-4-carbonitrile has a molecular weight of 283.09 g/mol, XLogP of 4.19, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-(4-chloro-3-fluorophenoxy)pyridine-4-carbonitrile is sourced from PubChem (CID 107059136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).