ethyl 2-[2-(5-chloro-2-hydroxyphenyl)cyclopenten-1-yl]pyridine-3-carboxylate

C19H18ClNO3 — CID 135979841

IUPACethyl 2-[2-(5-chloro-2-hydroxyphenyl)cyclopenten-1-yl]pyridine-3-carboxylate
SMILESCCOC(=O)c1cccnc1C1=C(c2cc(Cl)ccc2O)CCC1
InChIInChI=1S/C19H18ClNO3/c1-2-24-19(23)15-7-4-10-21-18(15)14-6-3-5-13(14)16-11-12(20)8-9-17(16)22/h4,7-11,22H,2-3,5-6H2,1H3
InChIKeyNQDJWUIWFNQJIF-UHFFFAOYSA-N
MW343.81 g/mol
LogP4.71
Rot. Bonds4

About ethyl 2-[2-(5-chloro-2-hydroxyphenyl)cyclopenten-1-yl]pyridine-3-carboxylate

ethyl 2-[2-(5-chloro-2-hydroxyphenyl)cyclopenten-1-yl]pyridine-3-carboxylate (PubChem CID 135979841) has the molecular formula C19H18ClNO3 and a molecular weight of 343.81 g/mol. Its IUPAC name is ethyl 2-[2-(5-chloro-2-hydroxyphenyl)cyclopenten-1-yl]pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-[2-(5-chloro-2-hydroxyphenyl)cyclopenten-1-yl]pyridine-3-carboxylate
PubChem CID135979841
Molecular FormulaC19H18ClNO3
Molecular Weight343.81 g/mol
Exact Mass343.10
IUPAC Nameethyl 2-[2-(5-chloro-2-hydroxyphenyl)cyclopenten-1-yl]pyridine-3-carboxylate
SMILESCCOC(=O)c1cccnc1C1=C(c2cc(Cl)ccc2O)CCC1
InChIInChI=1S/C19H18ClNO3/c1-2-24-19(23)15-7-4-10-21-18(15)14-6-3-5-13(14)16-11-12(20)8-9-17(16)22/h4,7-11,22H,2-3,5-6H2,1H3
InChIKeyNQDJWUIWFNQJIF-UHFFFAOYSA-N
XLogP4.71
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.81
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 6-[2-(5-chloro-2-hydroxyphenyl)cyclopenten-1-yl]-3-methylsulfanylpyridine-2-carboxylate
CID 135979833
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ethyl 2-(2,4-difluorophenyl)pyridine-3-carboxylate
CID 21062877
ethyl 2-phenylpyridine-3-carboxylate
CID 10846916
ethyl 3-[(5-chloro-2-hydroxyphenyl)methyl]pyridine-2-carboxylate
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ethyl 2-(4,5-dihydro-1H-pyrazol-3-yl)pyridine-3-carboxylate
CID 67712315
ethyl 2-(3-ethoxycarbonylphenyl)pyridine-3-carboxylate
CID 134833739
ethyl 2-(3-chloro-4-fluoroanilino)pyridine-3-carboxylate
CID 28938472
ethyl 2-[3-(1H-pyrazol-5-yl)phenyl]pyridine-3-carboxylate
CID 31018317
ethyl 2-(1,3-thiazol-4-yl)pyridine-3-carboxylate
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ethyl 2-chloroselanylpyridine-3-carboxylate
CID 145320288

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-(5-chloro-2-hydroxyphenyl)cyclopenten-1-yl]pyridine-3-carboxylate?
The IUPAC name of ethyl 2-[2-(5-chloro-2-hydroxyphenyl)cyclopenten-1-yl]pyridine-3-carboxylate (CID 135979841) is ethyl 2-[2-(5-chloro-2-hydroxyphenyl)cyclopenten-1-yl]pyridine-3-carboxylate.
What is the SMILES notation for ethyl 2-[2-(5-chloro-2-hydroxyphenyl)cyclopenten-1-yl]pyridine-3-carboxylate?
The canonical SMILES for ethyl 2-[2-(5-chloro-2-hydroxyphenyl)cyclopenten-1-yl]pyridine-3-carboxylate is CCOC(=O)c1cccnc1C1=C(c2cc(Cl)ccc2O)CCC1.
What is the InChIKey of ethyl 2-[2-(5-chloro-2-hydroxyphenyl)cyclopenten-1-yl]pyridine-3-carboxylate?
The InChIKey is NQDJWUIWFNQJIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClNO3/c1-2-24-19(23)15-7-4-10-21-18(15)14-6-3-5-13(14)16-11-12(20)8-9-17(16)22/h4,7-11,22H,2-3,5-6H2,1H3.
What are the key properties of ethyl 2-[2-(5-chloro-2-hydroxyphenyl)cyclopenten-1-yl]pyridine-3-carboxylate?
ethyl 2-[2-(5-chloro-2-hydroxyphenyl)cyclopenten-1-yl]pyridine-3-carboxylate has a molecular weight of 343.81 g/mol, XLogP of 4.71, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-(5-chloro-2-hydroxyphenyl)cyclopenten-1-yl]pyridine-3-carboxylate is sourced from PubChem (CID 135979841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).