methyl 5-(3-chlorophenyl)-6-cyano-3-hydroxypyridine-2-carboxylate

C14H9ClN2O3 — CID 168937747

IUPACmethyl 5-(3-chlorophenyl)-6-cyano-3-hydroxypyridine-2-carboxylate
SMILESCOC(=O)c1nc(C#N)c(-c2cccc(Cl)c2)cc1O
InChIInChI=1S/C14H9ClN2O3/c1-20-14(19)13-12(18)6-10(11(7-16)17-13)8-3-2-4-9(15)5-8/h2-6,18H,1H3
InChIKeyHQUGPJQQTROVFV-UHFFFAOYSA-N
MW288.69 g/mol
LogP2.77
Rot. Bonds2

About methyl 5-(3-chlorophenyl)-6-cyano-3-hydroxypyridine-2-carboxylate

methyl 5-(3-chlorophenyl)-6-cyano-3-hydroxypyridine-2-carboxylate (PubChem CID 168937747) has the molecular formula C14H9ClN2O3 and a molecular weight of 288.69 g/mol. Its IUPAC name is methyl 5-(3-chlorophenyl)-6-cyano-3-hydroxypyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-(3-chlorophenyl)-6-cyano-3-hydroxypyridine-2-carboxylate
PubChem CID168937747
Molecular FormulaC14H9ClN2O3
Molecular Weight288.69 g/mol
Exact Mass288.03
IUPAC Namemethyl 5-(3-chlorophenyl)-6-cyano-3-hydroxypyridine-2-carboxylate
SMILESCOC(=O)c1nc(C#N)c(-c2cccc(Cl)c2)cc1O
InChIInChI=1S/C14H9ClN2O3/c1-20-14(19)13-12(18)6-10(11(7-16)17-13)8-3-2-4-9(15)5-8/h2-6,18H,1H3
InChIKeyHQUGPJQQTROVFV-UHFFFAOYSA-N
XLogP2.77
TPSA83.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.69
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 5-(3-chlorophenyl)-6-cyano-3-hydroxypyridine-2-carboxylate?
The IUPAC name of methyl 5-(3-chlorophenyl)-6-cyano-3-hydroxypyridine-2-carboxylate (CID 168937747) is methyl 5-(3-chlorophenyl)-6-cyano-3-hydroxypyridine-2-carboxylate.
What is the SMILES notation for methyl 5-(3-chlorophenyl)-6-cyano-3-hydroxypyridine-2-carboxylate?
The canonical SMILES for methyl 5-(3-chlorophenyl)-6-cyano-3-hydroxypyridine-2-carboxylate is COC(=O)c1nc(C#N)c(-c2cccc(Cl)c2)cc1O.
What is the InChIKey of methyl 5-(3-chlorophenyl)-6-cyano-3-hydroxypyridine-2-carboxylate?
The InChIKey is HQUGPJQQTROVFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClN2O3/c1-20-14(19)13-12(18)6-10(11(7-16)17-13)8-3-2-4-9(15)5-8/h2-6,18H,1H3.
What are the key properties of methyl 5-(3-chlorophenyl)-6-cyano-3-hydroxypyridine-2-carboxylate?
methyl 5-(3-chlorophenyl)-6-cyano-3-hydroxypyridine-2-carboxylate has a molecular weight of 288.69 g/mol, XLogP of 2.77, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-(3-chlorophenyl)-6-cyano-3-hydroxypyridine-2-carboxylate is sourced from PubChem (CID 168937747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).