methyl 5-chloro-6-cyano-2-phenylpyridine-3-carboxylate

C14H9ClN2O2 — CID 129097942

IUPACmethyl 5-chloro-6-cyano-2-phenylpyridine-3-carboxylate
SMILESCOC(=O)c1cc(Cl)c(C#N)nc1-c1ccccc1
InChIInChI=1S/C14H9ClN2O2/c1-19-14(18)10-7-11(15)12(8-16)17-13(10)9-5-3-2-4-6-9/h2-7H,1H3
InChIKeyFFJOTKWKWOPXRM-UHFFFAOYSA-N
MW272.69 g/mol
LogP3.06
Rot. Bonds2

About methyl 5-chloro-6-cyano-2-phenylpyridine-3-carboxylate

methyl 5-chloro-6-cyano-2-phenylpyridine-3-carboxylate (PubChem CID 129097942) has the molecular formula C14H9ClN2O2 and a molecular weight of 272.69 g/mol. Its IUPAC name is methyl 5-chloro-6-cyano-2-phenylpyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-chloro-6-cyano-2-phenylpyridine-3-carboxylate
PubChem CID129097942
Molecular FormulaC14H9ClN2O2
Molecular Weight272.69 g/mol
Exact Mass272.04
IUPAC Namemethyl 5-chloro-6-cyano-2-phenylpyridine-3-carboxylate
SMILESCOC(=O)c1cc(Cl)c(C#N)nc1-c1ccccc1
InChIInChI=1S/C14H9ClN2O2/c1-19-14(18)10-7-11(15)12(8-16)17-13(10)9-5-3-2-4-6-9/h2-7H,1H3
InChIKeyFFJOTKWKWOPXRM-UHFFFAOYSA-N
XLogP3.06
TPSA62.98 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.69
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 9802941
Ethyl 2,4-dichloroquinoline-3-carboxylate
CID 228269
6-(4-Chlorophenyl)-2-methyl-3-pyridinecarboxylic acid methyl ester
CID 822962
Methyl 2-chloroquinoline-3-carboxylate
CID 10966076
Methyl 6-(4-fluorophenyl)-2-methylnicotinate
CID 822971
Dipropyl 2-(3-chlorophenyl)-4,6-diethylpyridine-3,5-dicarboxylate
CID 44413098
Ethyl 2-(3-chlorophenyl)-4,6-diethyl-5-ethylsulfanylcarbonylpyridine-3-carboxylate
CID 10763833
Ethyl 6-chloro-5-cyano-2-methylnicotinate
CID 2786689
Ethyl 6-chloro-2-methylquinoline-3-carboxylate
CID 11288138
Methyl 2-chloro-6-methylpyridine-3-carboxylate
CID 13055804
Ethyl 7-chloro-2-methylquinoline-3-carboxylate
CID 17039579
Ethyl 2-chloro-4-methylquinoline-3-carboxylate
CID 22987170

Frequently Asked Questions

What is the IUPAC name of methyl 5-chloro-6-cyano-2-phenylpyridine-3-carboxylate?
The IUPAC name of methyl 5-chloro-6-cyano-2-phenylpyridine-3-carboxylate (CID 129097942) is methyl 5-chloro-6-cyano-2-phenylpyridine-3-carboxylate.
What is the SMILES notation for methyl 5-chloro-6-cyano-2-phenylpyridine-3-carboxylate?
The canonical SMILES for methyl 5-chloro-6-cyano-2-phenylpyridine-3-carboxylate is COC(=O)c1cc(Cl)c(C#N)nc1-c1ccccc1.
What is the InChIKey of methyl 5-chloro-6-cyano-2-phenylpyridine-3-carboxylate?
The InChIKey is FFJOTKWKWOPXRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClN2O2/c1-19-14(18)10-7-11(15)12(8-16)17-13(10)9-5-3-2-4-6-9/h2-7H,1H3.
What are the key properties of methyl 5-chloro-6-cyano-2-phenylpyridine-3-carboxylate?
methyl 5-chloro-6-cyano-2-phenylpyridine-3-carboxylate has a molecular weight of 272.69 g/mol, XLogP of 3.06, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-chloro-6-cyano-2-phenylpyridine-3-carboxylate is sourced from PubChem (CID 129097942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).