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

C15H14ClNO3 — CID 69459643

IUPACethyl 3-[(5-chloro-2-hydroxyphenyl)methyl]pyridine-2-carboxylate
SMILESCCOC(=O)c1ncccc1Cc1cc(Cl)ccc1O
InChIInChI=1S/C15H14ClNO3/c1-2-20-15(19)14-10(4-3-7-17-14)8-11-9-12(16)5-6-13(11)18/h3-7,9,18H,2,8H2,1H3
InChIKeyNZPRYHUPUVMHTD-UHFFFAOYSA-N
MW291.73 g/mol
LogP3.21
Rot. Bonds4

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

ethyl 3-[(5-chloro-2-hydroxyphenyl)methyl]pyridine-2-carboxylate (PubChem CID 69459643) has the molecular formula C15H14ClNO3 and a molecular weight of 291.73 g/mol. Its IUPAC name is ethyl 3-[(5-chloro-2-hydroxyphenyl)methyl]pyridine-2-carboxylate.

Molecular Properties

Compound Nameethyl 3-[(5-chloro-2-hydroxyphenyl)methyl]pyridine-2-carboxylate
PubChem CID69459643
Molecular FormulaC15H14ClNO3
Molecular Weight291.73 g/mol
Exact Mass291.07
IUPAC Nameethyl 3-[(5-chloro-2-hydroxyphenyl)methyl]pyridine-2-carboxylate
SMILESCCOC(=O)c1ncccc1Cc1cc(Cl)ccc1O
InChIInChI=1S/C15H14ClNO3/c1-2-20-15(19)14-10(4-3-7-17-14)8-11-9-12(16)5-6-13(11)18/h3-7,9,18H,2,8H2,1H3
InChIKeyNZPRYHUPUVMHTD-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

ethyl 3-fluoropyridine-2-carboxylate
CID 46311381
ethyl 5-[(5-chloro-2-hydroxyphenyl)methyl]pyridine-3-carboxylate
CID 59384245
ethyl 3-aminopyridine-2-carboxylate
CID 565054
ethane;ethyl 3-aminopyridine-2-carboxylate
CID 143635646
ethyl 3-(oxetan-3-ylmethyl)pyridine-2-carboxylate
CID 157252746
ethyl 5-[(5-chloro-2-hydroxyphenyl)methyl]furan-2-carboxylate;ethyl 5-[[5-chloro-2-(2-methylpropoxy)phenyl]methyl]furan-2-carboxylate
CID 158064524
4-chloro-2-[[5-chloro-3-[(5-chloro-2-hydroxyphenyl)methyl]-2-hydroxyphenyl]methyl]-6-[(5-chloro-2-hydroxyphenyl)methyl]phenol
CID 12772656
ethyl 2-[2-(5-chloro-2-hydroxyphenyl)cyclopenten-1-yl]pyridine-3-carboxylate
CID 135979841
propyl 3-hydroxypyridine-2-carboxylate
CID 60923594
benzyl 2-[4-chloro-2-[(5-chloro-2-hydroxyphenyl)methyl]phenoxy]acetate;4-chloro-2-[(5-chloro-2-hydroxyphenyl)methyl]phenol
CID 158160589
3-[(4-chloro-2-methylphenoxy)methyl]pyridine-2-carbothioamide
CID 62894995
ethyl 5-(5-chloro-2-fluorophenyl)-1,3-thiazole-4-carboxylate
CID 59291414

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[(5-chloro-2-hydroxyphenyl)methyl]pyridine-2-carboxylate?
The IUPAC name of ethyl 3-[(5-chloro-2-hydroxyphenyl)methyl]pyridine-2-carboxylate (CID 69459643) is ethyl 3-[(5-chloro-2-hydroxyphenyl)methyl]pyridine-2-carboxylate.
What is the SMILES notation for ethyl 3-[(5-chloro-2-hydroxyphenyl)methyl]pyridine-2-carboxylate?
The canonical SMILES for ethyl 3-[(5-chloro-2-hydroxyphenyl)methyl]pyridine-2-carboxylate is CCOC(=O)c1ncccc1Cc1cc(Cl)ccc1O.
What is the InChIKey of ethyl 3-[(5-chloro-2-hydroxyphenyl)methyl]pyridine-2-carboxylate?
The InChIKey is NZPRYHUPUVMHTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClNO3/c1-2-20-15(19)14-10(4-3-7-17-14)8-11-9-12(16)5-6-13(11)18/h3-7,9,18H,2,8H2,1H3.
What are the key properties of ethyl 3-[(5-chloro-2-hydroxyphenyl)methyl]pyridine-2-carboxylate?
ethyl 3-[(5-chloro-2-hydroxyphenyl)methyl]pyridine-2-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 3-[(5-chloro-2-hydroxyphenyl)methyl]pyridine-2-carboxylate is sourced from PubChem (CID 69459643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).