ethyl 6-[2-(5-chloro-2-methoxyphenyl)pyrrol-1-yl]pyridine-2-carboxylate

C19H17ClN2O3 — CID 58838264

IUPACethyl 6-[2-(5-chloro-2-methoxyphenyl)pyrrol-1-yl]pyridine-2-carboxylate
SMILESCCOC(=O)c1cccc(-n2cccc2-c2cc(Cl)ccc2OC)n1
InChIInChI=1S/C19H17ClN2O3/c1-3-25-19(23)15-6-4-8-18(21-15)22-11-5-7-16(22)14-12-13(20)9-10-17(14)24-2/h4-12H,3H2,1-2H3
InChIKeyHCSDOVSMCCUYKO-UHFFFAOYSA-N
MW356.81 g/mol
LogP4.38
Rot. Bonds5

About ethyl 6-[2-(5-chloro-2-methoxyphenyl)pyrrol-1-yl]pyridine-2-carboxylate

ethyl 6-[2-(5-chloro-2-methoxyphenyl)pyrrol-1-yl]pyridine-2-carboxylate (PubChem CID 58838264) has the molecular formula C19H17ClN2O3 and a molecular weight of 356.81 g/mol. Its IUPAC name is ethyl 6-[2-(5-chloro-2-methoxyphenyl)pyrrol-1-yl]pyridine-2-carboxylate.

Molecular Properties

Compound Nameethyl 6-[2-(5-chloro-2-methoxyphenyl)pyrrol-1-yl]pyridine-2-carboxylate
PubChem CID58838264
Molecular FormulaC19H17ClN2O3
Molecular Weight356.81 g/mol
Exact Mass356.09
IUPAC Nameethyl 6-[2-(5-chloro-2-methoxyphenyl)pyrrol-1-yl]pyridine-2-carboxylate
SMILESCCOC(=O)c1cccc(-n2cccc2-c2cc(Cl)ccc2OC)n1
InChIInChI=1S/C19H17ClN2O3/c1-3-25-19(23)15-6-4-8-18(21-15)22-11-5-7-16(22)14-12-13(20)9-10-17(14)24-2/h4-12H,3H2,1-2H3
InChIKeyHCSDOVSMCCUYKO-UHFFFAOYSA-N
XLogP4.38
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.81
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 5-(5-chloro-2-methoxyphenyl)-1-methylpyrazole-3-carboxylate
CID 118562617
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CID 69452973
ethyl 6-[2-[5-chloro-2-[(2,5-difluorophenyl)methoxy]phenyl]-5-methylpyrrol-1-yl]pyridine-2-carboxylate
CID 58838259
ethyl 2-(4-chloro-2-methoxyphenyl)-1,3-thiazole-4-carboxylate
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ethyl 6-[2-[5-chloro-2-[(E)-2-methylbut-2-enoxy]phenyl]phenyl]pyridine-2-carboxylate
CID 58974058
ethyl 6-[2-[5-chloro-2-(3-methylbutoxy)phenyl]phenyl]pyridine-2-carboxylate
CID 58974061
ethyl 6-piperidin-1-ylpyridine-2-carboxylate
CID 146501154
ethyl 3-amino-5-(5-chloro-2-methoxyphenyl)thiophene-2-carboxylate
CID 43155561
(4-fluoro-3-methoxyphenyl)methyl 6-imidazol-1-ylpyridine-2-carboxylate
CID 75477266
ethane;ethyl 6-[(5-chloro-2-phenylmethoxyphenyl)methyl]pyridine-2-carboxylate
CID 143249319
ethyl 1-(3-chlorophenyl)-2-(2-fluorophenyl)imidazole-4-carboxylate
CID 67032137
2-O-ethyl 6-O-tridecyl pyridine-2,6-dicarboxylate
CID 91732217

Frequently Asked Questions

What is the IUPAC name of ethyl 6-[2-(5-chloro-2-methoxyphenyl)pyrrol-1-yl]pyridine-2-carboxylate?
The IUPAC name of ethyl 6-[2-(5-chloro-2-methoxyphenyl)pyrrol-1-yl]pyridine-2-carboxylate (CID 58838264) is ethyl 6-[2-(5-chloro-2-methoxyphenyl)pyrrol-1-yl]pyridine-2-carboxylate.
What is the SMILES notation for ethyl 6-[2-(5-chloro-2-methoxyphenyl)pyrrol-1-yl]pyridine-2-carboxylate?
The canonical SMILES for ethyl 6-[2-(5-chloro-2-methoxyphenyl)pyrrol-1-yl]pyridine-2-carboxylate is CCOC(=O)c1cccc(-n2cccc2-c2cc(Cl)ccc2OC)n1.
What is the InChIKey of ethyl 6-[2-(5-chloro-2-methoxyphenyl)pyrrol-1-yl]pyridine-2-carboxylate?
The InChIKey is HCSDOVSMCCUYKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN2O3/c1-3-25-19(23)15-6-4-8-18(21-15)22-11-5-7-16(22)14-12-13(20)9-10-17(14)24-2/h4-12H,3H2,1-2H3.
What are the key properties of ethyl 6-[2-(5-chloro-2-methoxyphenyl)pyrrol-1-yl]pyridine-2-carboxylate?
ethyl 6-[2-(5-chloro-2-methoxyphenyl)pyrrol-1-yl]pyridine-2-carboxylate has a molecular weight of 356.81 g/mol, XLogP of 4.38, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-[2-(5-chloro-2-methoxyphenyl)pyrrol-1-yl]pyridine-2-carboxylate is sourced from PubChem (CID 58838264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).