ethyl 3-chloro-4-hydroxy-7-phenyl-1H-pyrrolo[2,3-c]pyridine-5-carboxylate

C16H13ClN2O3 — CID 91276615

IUPACethyl 3-chloro-4-hydroxy-7-phenyl-1H-pyrrolo[2,3-c]pyridine-5-carboxylate
SMILESCCOC(=O)c1nc(-c2ccccc2)c2[nH]cc(Cl)c2c1O
InChIInChI=1S/C16H13ClN2O3/c1-2-22-16(21)14-15(20)11-10(17)8-18-13(11)12(19-14)9-6-4-3-5-7-9/h3-8,18,20H,2H2,1H3
InChIKeyLYTPMZXLURDFPQ-UHFFFAOYSA-N
MW316.74 g/mol
LogP3.77
Rot. Bonds3

About ethyl 3-chloro-4-hydroxy-7-phenyl-1H-pyrrolo[2,3-c]pyridine-5-carboxylate

ethyl 3-chloro-4-hydroxy-7-phenyl-1H-pyrrolo[2,3-c]pyridine-5-carboxylate (PubChem CID 91276615) has the molecular formula C16H13ClN2O3 and a molecular weight of 316.74 g/mol. Its IUPAC name is ethyl 3-chloro-4-hydroxy-7-phenyl-1H-pyrrolo[2,3-c]pyridine-5-carboxylate.

Molecular Properties

Compound Nameethyl 3-chloro-4-hydroxy-7-phenyl-1H-pyrrolo[2,3-c]pyridine-5-carboxylate
PubChem CID91276615
Molecular FormulaC16H13ClN2O3
Molecular Weight316.74 g/mol
Exact Mass316.06
IUPAC Nameethyl 3-chloro-4-hydroxy-7-phenyl-1H-pyrrolo[2,3-c]pyridine-5-carboxylate
SMILESCCOC(=O)c1nc(-c2ccccc2)c2[nH]cc(Cl)c2c1O
InChIInChI=1S/C16H13ClN2O3/c1-2-22-16(21)14-15(20)11-10(17)8-18-13(11)12(19-14)9-6-4-3-5-7-9/h3-8,18,20H,2H2,1H3
InChIKeyLYTPMZXLURDFPQ-UHFFFAOYSA-N
XLogP3.77
TPSA75.21 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.74
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 4-bromo-7-hydroxy-3-phenyl-[1,2]oxazolo[4,5-c]pyridine-6-carboxylate
CID 86648121
ethyl 1-benzyl-3,7-dichloro-4-hydroxypyrrolo[2,3-c]pyridine-5-carboxylate
CID 86617351
ethyl 4-ethynyl-7-hydroxy-3-phenyl-[1,2]oxazolo[4,5-c]pyridine-6-carboxylate
CID 86648129
ethyl 4-phenylphthalazine-1-carboxylate
CID 102221733
ethyl 1-benzyl-2,3,7-trichloro-4-hydroxypyrrolo[2,3-c]pyridine-5-carboxylate
CID 87451831
ethyl 3-methyl-6-(4-phenylphenyl)-5-propan-2-ylpyrazine-2-carboxylate
CID 134999030
ethyl 5-chloro-2-hydroxy-3,6-dimethyl-4-phenylbenzoate
CID 101384022
ethyl 2-methyl-5-phenyl-1,3-thiazole-4-carboxylate;hydrochloride
CID 112758002
triethyl 5-methyl-4-phenylpyridine-2,3,6-tricarboxylate
CID 14469073
ethyl 5-(2-chlorophenyl)-2H-triazole-4-carboxylate
CID 118989014
ethyl 6-methyl-2-oxo-4-phenyl-1H-pyrimidine-5-carboxylate
CID 2763693
butyl 1-chloro-4-hydroxy-5-phenylisoquinoline-3-carboxylate
CID 86014617

Frequently Asked Questions

What is the IUPAC name of ethyl 3-chloro-4-hydroxy-7-phenyl-1H-pyrrolo[2,3-c]pyridine-5-carboxylate?
The IUPAC name of ethyl 3-chloro-4-hydroxy-7-phenyl-1H-pyrrolo[2,3-c]pyridine-5-carboxylate (CID 91276615) is ethyl 3-chloro-4-hydroxy-7-phenyl-1H-pyrrolo[2,3-c]pyridine-5-carboxylate.
What is the SMILES notation for ethyl 3-chloro-4-hydroxy-7-phenyl-1H-pyrrolo[2,3-c]pyridine-5-carboxylate?
The canonical SMILES for ethyl 3-chloro-4-hydroxy-7-phenyl-1H-pyrrolo[2,3-c]pyridine-5-carboxylate is CCOC(=O)c1nc(-c2ccccc2)c2[nH]cc(Cl)c2c1O.
What is the InChIKey of ethyl 3-chloro-4-hydroxy-7-phenyl-1H-pyrrolo[2,3-c]pyridine-5-carboxylate?
The InChIKey is LYTPMZXLURDFPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN2O3/c1-2-22-16(21)14-15(20)11-10(17)8-18-13(11)12(19-14)9-6-4-3-5-7-9/h3-8,18,20H,2H2,1H3.
What are the key properties of ethyl 3-chloro-4-hydroxy-7-phenyl-1H-pyrrolo[2,3-c]pyridine-5-carboxylate?
ethyl 3-chloro-4-hydroxy-7-phenyl-1H-pyrrolo[2,3-c]pyridine-5-carboxylate has a molecular weight of 316.74 g/mol, XLogP of 3.77, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-chloro-4-hydroxy-7-phenyl-1H-pyrrolo[2,3-c]pyridine-5-carboxylate is sourced from PubChem (CID 91276615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).