ethyl 5-[(5-chloro-2-hydroxyphenyl)methyl]pyridine-3-carboxylate

C15H14ClNO3 — CID 59384245

IUPACethyl 5-[(5-chloro-2-hydroxyphenyl)methyl]pyridine-3-carboxylate
SMILESCCOC(=O)c1cncc(Cc2cc(Cl)ccc2O)c1
InChIInChI=1S/C15H14ClNO3/c1-2-20-15(19)12-6-10(8-17-9-12)5-11-7-13(16)3-4-14(11)18/h3-4,6-9,18H,2,5H2,1H3
InChIKeyNBEMEDYBTMZBEC-UHFFFAOYSA-N
MW291.73 g/mol
LogP3.21
Rot. Bonds4

About ethyl 5-[(5-chloro-2-hydroxyphenyl)methyl]pyridine-3-carboxylate

ethyl 5-[(5-chloro-2-hydroxyphenyl)methyl]pyridine-3-carboxylate (PubChem CID 59384245) has the molecular formula C15H14ClNO3 and a molecular weight of 291.73 g/mol. Its IUPAC name is ethyl 5-[(5-chloro-2-hydroxyphenyl)methyl]pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-[(5-chloro-2-hydroxyphenyl)methyl]pyridine-3-carboxylate
PubChem CID59384245
Molecular FormulaC15H14ClNO3
Molecular Weight291.73 g/mol
Exact Mass291.07
IUPAC Nameethyl 5-[(5-chloro-2-hydroxyphenyl)methyl]pyridine-3-carboxylate
SMILESCCOC(=O)c1cncc(Cc2cc(Cl)ccc2O)c1
InChIInChI=1S/C15H14ClNO3/c1-2-20-15(19)12-6-10(8-17-9-12)5-11-7-13(16)3-4-14(11)18/h3-4,6-9,18H,2,5H2,1H3
InChIKeyNBEMEDYBTMZBEC-UHFFFAOYSA-N
XLogP3.21
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.73
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethane;ethyl 5-ethylpyridine-3-carboxylate
CID 143600657
ethyl 5-(chloromethyl)pyridine-3-carboxylate;hydrochloride
CID 70071930
ethyl 5-(aminomethyl)pyridine-3-carboxylate;dihydrochloride
CID 140963506
ethyl 3-[(5-chloro-2-hydroxyphenyl)methyl]pyridine-2-carboxylate
CID 69459643
ethyl 5-[[4-[(2-oxo-1H-pyridin-3-yl)methyl]phenyl]methyl]pyridine-3-carboxylate
CID 118212779
ethyl 5-[[2,5-difluoro-4-[(2-oxo-1H-pyridin-3-yl)methyl]phenyl]methyl]pyridine-3-carboxylate
CID 118212882
ethyl 5-(5-bromo-2-hydroxybenzoyl)pyridine-3-carboxylate
CID 139223715
ethyl 5-(3-chloroanilino)pyridine-3-carboxylate
CID 82535073
ethyl 4-[(4-chlorophenyl)methyl]benzoate
CID 11414671
ethyl 6-chloro-4-hydroxynaphthalene-2-carboxylate
CID 73013854
5-[(5-chloro-2-phenylmethoxyphenyl)methyl]pyridine-3-carboxylic acid
CID 11646506
ethyl 2-(4-chloro-2-methylphenyl)pyrimidine-5-carboxylate
CID 174521887

Frequently Asked Questions

What is the IUPAC name of ethyl 5-[(5-chloro-2-hydroxyphenyl)methyl]pyridine-3-carboxylate?
The IUPAC name of ethyl 5-[(5-chloro-2-hydroxyphenyl)methyl]pyridine-3-carboxylate (CID 59384245) is ethyl 5-[(5-chloro-2-hydroxyphenyl)methyl]pyridine-3-carboxylate.
What is the SMILES notation for ethyl 5-[(5-chloro-2-hydroxyphenyl)methyl]pyridine-3-carboxylate?
The canonical SMILES for ethyl 5-[(5-chloro-2-hydroxyphenyl)methyl]pyridine-3-carboxylate is CCOC(=O)c1cncc(Cc2cc(Cl)ccc2O)c1.
What is the InChIKey of ethyl 5-[(5-chloro-2-hydroxyphenyl)methyl]pyridine-3-carboxylate?
The InChIKey is NBEMEDYBTMZBEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClNO3/c1-2-20-15(19)12-6-10(8-17-9-12)5-11-7-13(16)3-4-14(11)18/h3-4,6-9,18H,2,5H2,1H3.
What are the key properties of ethyl 5-[(5-chloro-2-hydroxyphenyl)methyl]pyridine-3-carboxylate?
ethyl 5-[(5-chloro-2-hydroxyphenyl)methyl]pyridine-3-carboxylate has a molecular weight of 291.73 g/mol, XLogP of 3.21, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-[(5-chloro-2-hydroxyphenyl)methyl]pyridine-3-carboxylate is sourced from PubChem (CID 59384245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).