methyl 5-cyano-4-(2,6-dichlorophenyl)-2-(methoxymethyl)-6-methylpyridine-3-carboxylate

C17H14Cl2N2O3 — CID 68800566

IUPACmethyl 5-cyano-4-(2,6-dichlorophenyl)-2-(methoxymethyl)-6-methylpyridine-3-carboxylate
SMILESCOCc1nc(C)c(C#N)c(-c2c(Cl)cccc2Cl)c1C(=O)OC
InChIInChI=1S/C17H14Cl2N2O3/c1-9-10(7-20)14(15-11(18)5-4-6-12(15)19)16(17(22)24-3)13(21-9)8-23-2/h4-6H,8H2,1-3H3
InChIKeyXEOGPYHESHDZEL-UHFFFAOYSA-N
MW365.22 g/mol
LogP4.17
Rot. Bonds4

About methyl 5-cyano-4-(2,6-dichlorophenyl)-2-(methoxymethyl)-6-methylpyridine-3-carboxylate

methyl 5-cyano-4-(2,6-dichlorophenyl)-2-(methoxymethyl)-6-methylpyridine-3-carboxylate (PubChem CID 68800566) has the molecular formula C17H14Cl2N2O3 and a molecular weight of 365.22 g/mol. Its IUPAC name is methyl 5-cyano-4-(2,6-dichlorophenyl)-2-(methoxymethyl)-6-methylpyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-cyano-4-(2,6-dichlorophenyl)-2-(methoxymethyl)-6-methylpyridine-3-carboxylate
PubChem CID68800566
Molecular FormulaC17H14Cl2N2O3
Molecular Weight365.22 g/mol
Exact Mass364.04
IUPAC Namemethyl 5-cyano-4-(2,6-dichlorophenyl)-2-(methoxymethyl)-6-methylpyridine-3-carboxylate
SMILESCOCc1nc(C)c(C#N)c(-c2c(Cl)cccc2Cl)c1C(=O)OC
InChIInChI=1S/C17H14Cl2N2O3/c1-9-10(7-20)14(15-11(18)5-4-6-12(15)19)16(17(22)24-3)13(21-9)8-23-2/h4-6H,8H2,1-3H3
InChIKeyXEOGPYHESHDZEL-UHFFFAOYSA-N
XLogP4.17
TPSA72.21 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.22
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 3-chloro-2-cyanobenzoate
CID 55264601
methyl 6-chloro-4-cyano-2,5-dimethylpyridine-3-carboxylate
CID 20703481
2-[[4-(2-chlorophenyl)-3-ethoxycarbonyl-5-methoxycarbonyl-6-methyl-2-pyridinyl]methoxy]acetic acid
CID 14271878
ethyl 2-(chloromethyl)-5-cyano-6-methyl-4-(3-nitrophenyl)pyridine-3-carboxylate
CID 19857278
2-amino-4-(2,6-dichlorophenyl)-5,6-dimethylpyridine-3-carbonitrile
CID 4633995
sodium;methanolate;2-methylbenzene-1,3-diamine;methyl 2,3,4,5-tetrachloro-6-cyanobenzoate
CID 23674310
2-(2,6-dichlorophenyl)-4-(methoxymethyl)-1,3-oxazole-5-carboxylic acid
CID 114373828
methyl 5-[(2-chlorobenzoyl)amino]-4-cyano-2-methylfuran-3-carboxylate
CID 108757254
ethyl 3-chloro-2-cyanobenzoate
CID 14696600
2-chloro-6-(3-methoxy-2-oxopropoxy)benzonitrile
CID 107508195
methyl 2-[(5-cyano-3,4-dimethyl-6-oxopyridazin-1-yl)methyl]-4-phenylquinoline-3-carboxylate
CID 18279349
methyl 2-chloro-6-[(2-cyanoacetyl)amino]benzoate
CID 168520573

Frequently Asked Questions

What is the IUPAC name of methyl 5-cyano-4-(2,6-dichlorophenyl)-2-(methoxymethyl)-6-methylpyridine-3-carboxylate?
The IUPAC name of methyl 5-cyano-4-(2,6-dichlorophenyl)-2-(methoxymethyl)-6-methylpyridine-3-carboxylate (CID 68800566) is methyl 5-cyano-4-(2,6-dichlorophenyl)-2-(methoxymethyl)-6-methylpyridine-3-carboxylate.
What is the SMILES notation for methyl 5-cyano-4-(2,6-dichlorophenyl)-2-(methoxymethyl)-6-methylpyridine-3-carboxylate?
The canonical SMILES for methyl 5-cyano-4-(2,6-dichlorophenyl)-2-(methoxymethyl)-6-methylpyridine-3-carboxylate is COCc1nc(C)c(C#N)c(-c2c(Cl)cccc2Cl)c1C(=O)OC.
What is the InChIKey of methyl 5-cyano-4-(2,6-dichlorophenyl)-2-(methoxymethyl)-6-methylpyridine-3-carboxylate?
The InChIKey is XEOGPYHESHDZEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14Cl2N2O3/c1-9-10(7-20)14(15-11(18)5-4-6-12(15)19)16(17(22)24-3)13(21-9)8-23-2/h4-6H,8H2,1-3H3.
What are the key properties of methyl 5-cyano-4-(2,6-dichlorophenyl)-2-(methoxymethyl)-6-methylpyridine-3-carboxylate?
methyl 5-cyano-4-(2,6-dichlorophenyl)-2-(methoxymethyl)-6-methylpyridine-3-carboxylate has a molecular weight of 365.22 g/mol, XLogP of 4.17, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-cyano-4-(2,6-dichlorophenyl)-2-(methoxymethyl)-6-methylpyridine-3-carboxylate is sourced from PubChem (CID 68800566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).