3-chloro-2-(3,5-dimethoxyphenoxy)pyridine-4-carbonitrile

C14H11ClN2O3 — CID 107058963

IUPAC3-chloro-2-(3,5-dimethoxyphenoxy)pyridine-4-carbonitrile
SMILESCOc1cc(OC)cc(Oc2nccc(C#N)c2Cl)c1
InChIInChI=1S/C14H11ClN2O3/c1-18-10-5-11(19-2)7-12(6-10)20-14-13(15)9(8-16)3-4-17-14/h3-7H,1-2H3
InChIKeyMRAUVBVNFLAZAN-UHFFFAOYSA-N
MW290.71 g/mol
LogP3.42
Rot. Bonds4

About 3-chloro-2-(3,5-dimethoxyphenoxy)pyridine-4-carbonitrile

3-chloro-2-(3,5-dimethoxyphenoxy)pyridine-4-carbonitrile (PubChem CID 107058963) has the molecular formula C14H11ClN2O3 and a molecular weight of 290.71 g/mol. Its IUPAC name is 3-chloro-2-(3,5-dimethoxyphenoxy)pyridine-4-carbonitrile.

Molecular Properties

Compound Name3-chloro-2-(3,5-dimethoxyphenoxy)pyridine-4-carbonitrile
PubChem CID107058963
Molecular FormulaC14H11ClN2O3
Molecular Weight290.71 g/mol
Exact Mass290.05
IUPAC Name3-chloro-2-(3,5-dimethoxyphenoxy)pyridine-4-carbonitrile
SMILESCOc1cc(OC)cc(Oc2nccc(C#N)c2Cl)c1
InChIInChI=1S/C14H11ClN2O3/c1-18-10-5-11(19-2)7-12(6-10)20-14-13(15)9(8-16)3-4-17-14/h3-7H,1-2H3
InChIKeyMRAUVBVNFLAZAN-UHFFFAOYSA-N
XLogP3.42
TPSA64.37 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.71
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-chloro-2-[4-(methylamino)phenoxy]pyridine-4-carbonitrile
CID 107061466
3-chloro-2-(4-chloro-3-fluorophenoxy)pyridine-4-carbonitrile
CID 107059136
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-(3-hydroxynaphthalen-2-yl)oxypyridine-4-carbonitrile
CID 107061464
3-chloro-2-(2-methoxyethoxy)pyridine-4-carbonitrile
CID 107058776
2-(2-aminophenoxy)-3-chloropyridine-4-carbonitrile
CID 107061078
2-[2-amino-5-(dimethylamino)phenoxy]-3-chloropyridine-4-carbonitrile
CID 107061103
3-chloro-2-[(1-methyl-1,2,4-triazol-3-yl)oxy]pyridine-4-carbonitrile
CID 107059219
2-(2-tert-butyl-5-methylphenoxy)-3-chloropyridine-4-carbonitrile
CID 107058931
4-[(3-chloro-4-cyano-2-pyridinyl)oxy]-3-methylbenzoic acid
CID 107672883

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-(3,5-dimethoxyphenoxy)pyridine-4-carbonitrile?
The IUPAC name of 3-chloro-2-(3,5-dimethoxyphenoxy)pyridine-4-carbonitrile (CID 107058963) is 3-chloro-2-(3,5-dimethoxyphenoxy)pyridine-4-carbonitrile.
What is the SMILES notation for 3-chloro-2-(3,5-dimethoxyphenoxy)pyridine-4-carbonitrile?
The canonical SMILES for 3-chloro-2-(3,5-dimethoxyphenoxy)pyridine-4-carbonitrile is COc1cc(OC)cc(Oc2nccc(C#N)c2Cl)c1.
What is the InChIKey of 3-chloro-2-(3,5-dimethoxyphenoxy)pyridine-4-carbonitrile?
The InChIKey is MRAUVBVNFLAZAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN2O3/c1-18-10-5-11(19-2)7-12(6-10)20-14-13(15)9(8-16)3-4-17-14/h3-7H,1-2H3.
What are the key properties of 3-chloro-2-(3,5-dimethoxyphenoxy)pyridine-4-carbonitrile?
3-chloro-2-(3,5-dimethoxyphenoxy)pyridine-4-carbonitrile has a molecular weight of 290.71 g/mol, XLogP of 3.42, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-(3,5-dimethoxyphenoxy)pyridine-4-carbonitrile is sourced from PubChem (CID 107058963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).