5-(2,3-dichloro-6-methoxyphenyl)pyridine-2-carbonitrile;ethane

C15H14Cl2N2O — CID 156723606

IUPAC5-(2,3-dichloro-6-methoxyphenyl)pyridine-2-carbonitrile;ethane
SMILESCC.COc1ccc(Cl)c(Cl)c1-c1ccc(C#N)nc1
InChIInChI=1S/C13H8Cl2N2O.C2H6/c1-18-11-5-4-10(14)13(15)12(11)8-2-3-9(6-16)17-7-8;1-2/h2-5,7H,1H3;1-2H3
InChIKeyPRRQBHQPNVGGPO-UHFFFAOYSA-N
MW309.20 g/mol
LogP4.96
Rot. Bonds2

About 5-(2,3-dichloro-6-methoxyphenyl)pyridine-2-carbonitrile;ethane

5-(2,3-dichloro-6-methoxyphenyl)pyridine-2-carbonitrile;ethane (PubChem CID 156723606) has the molecular formula C15H14Cl2N2O and a molecular weight of 309.20 g/mol. Its IUPAC name is 5-(2,3-dichloro-6-methoxyphenyl)pyridine-2-carbonitrile;ethane.

Molecular Properties

Compound Name5-(2,3-dichloro-6-methoxyphenyl)pyridine-2-carbonitrile;ethane
PubChem CID156723606
Molecular FormulaC15H14Cl2N2O
Molecular Weight309.20 g/mol
Exact Mass308.05
IUPAC Name5-(2,3-dichloro-6-methoxyphenyl)pyridine-2-carbonitrile;ethane
SMILESCC.COc1ccc(Cl)c(Cl)c1-c1ccc(C#N)nc1
InChIInChI=1S/C13H8Cl2N2O.C2H6/c1-18-11-5-4-10(14)13(15)12(11)8-2-3-9(6-16)17-7-8;1-2/h2-5,7H,1H3;1-2H3
InChIKeyPRRQBHQPNVGGPO-UHFFFAOYSA-N
XLogP4.96
TPSA45.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.20
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethane;methoxymethane;5-methylpyridine-2-carbonitrile
CID 176990243
5-[(2-chloro-6-methoxyphenyl)methylamino]pyridine-2-carbonitrile
CID 103292558
5-(4-cyano-2-methoxyphenoxy)pyridine-2-carbonitrile
CID 115487862
5-(5-amino-2-methoxyphenoxy)pyridine-2-carbonitrile
CID 113321406
5-(3,4-dichloroanilino)pyridine-2-carbonitrile
CID 113320534
5-[2-(3,4-dimethoxyphenyl)imidazo[2,1-b][1,3,4]oxadiazol-5-yl]pyridine-2-carbonitrile
CID 67475047
ethane;5-methylpyridine-2-carbonitrile
CID 143546182
5-chloro-8-methoxy-4-(methylamino)quinoline-3-carbonitrile
CID 62188675
2-[5-methoxy-6-(2,3,6-trichlorophenyl)-2-pyridinyl]acetonitrile
CID 133094290
tert-butyl-[(1S)-1-[5-chloro-3-(6-cyano-3-pyridinyl)-2-methoxy-4-methylphenyl]ethyl]carbamic acid
CID 155025764
5-[3-chloro-4-(trifluoromethyl)phenyl]pyridine-2-carbonitrile
CID 25184446
1-(5-chloro-2,4-dimethoxyphenyl)-3-(6-cyano-3-pyridinyl)urea
CID 10336896

Frequently Asked Questions

What is the IUPAC name of 5-(2,3-dichloro-6-methoxyphenyl)pyridine-2-carbonitrile;ethane?
The IUPAC name of 5-(2,3-dichloro-6-methoxyphenyl)pyridine-2-carbonitrile;ethane (CID 156723606) is 5-(2,3-dichloro-6-methoxyphenyl)pyridine-2-carbonitrile;ethane.
What is the SMILES notation for 5-(2,3-dichloro-6-methoxyphenyl)pyridine-2-carbonitrile;ethane?
The canonical SMILES for 5-(2,3-dichloro-6-methoxyphenyl)pyridine-2-carbonitrile;ethane is CC.COc1ccc(Cl)c(Cl)c1-c1ccc(C#N)nc1.
What is the InChIKey of 5-(2,3-dichloro-6-methoxyphenyl)pyridine-2-carbonitrile;ethane?
The InChIKey is PRRQBHQPNVGGPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8Cl2N2O.C2H6/c1-18-11-5-4-10(14)13(15)12(11)8-2-3-9(6-16)17-7-8;1-2/h2-5,7H,1H3;1-2H3.
What are the key properties of 5-(2,3-dichloro-6-methoxyphenyl)pyridine-2-carbonitrile;ethane?
5-(2,3-dichloro-6-methoxyphenyl)pyridine-2-carbonitrile;ethane has a molecular weight of 309.20 g/mol, XLogP of 4.96, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,3-dichloro-6-methoxyphenyl)pyridine-2-carbonitrile;ethane is sourced from PubChem (CID 156723606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).