methyl 5-chloro-3-ethyl-1H-pyrrole-2-carboxylate

C8H10ClNO2 — CID 91196285

IUPACmethyl 5-chloro-3-ethyl-1H-pyrrole-2-carboxylate
SMILESCCc1cc(Cl)[nH]c1C(=O)OC
InChIInChI=1S/C8H10ClNO2/c1-3-5-4-6(9)10-7(5)8(11)12-2/h4,10H,3H2,1-2H3
InChIKeyUONWBNXYVBZMJT-UHFFFAOYSA-N
MW187.63 g/mol
LogP2.02
Rot. Bonds2

About methyl 5-chloro-3-ethyl-1H-pyrrole-2-carboxylate

methyl 5-chloro-3-ethyl-1H-pyrrole-2-carboxylate (PubChem CID 91196285) has the molecular formula C8H10ClNO2 and a molecular weight of 187.63 g/mol. Its IUPAC name is methyl 5-chloro-3-ethyl-1H-pyrrole-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-chloro-3-ethyl-1H-pyrrole-2-carboxylate
PubChem CID91196285
Molecular FormulaC8H10ClNO2
Molecular Weight187.63 g/mol
Exact Mass187.04
IUPAC Namemethyl 5-chloro-3-ethyl-1H-pyrrole-2-carboxylate
SMILESCCc1cc(Cl)[nH]c1C(=O)OC
InChIInChI=1S/C8H10ClNO2/c1-3-5-4-6(9)10-7(5)8(11)12-2/h4,10H,3H2,1-2H3
InChIKeyUONWBNXYVBZMJT-UHFFFAOYSA-N
XLogP2.02
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.63
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 2,5-dichloro-1H-pyrrole-3-carboxylate
CID 86688706
methyl 4-bromo-2-chloro-5-ethylbenzoate
CID 130064473
methyl 2-chloro-1H-indole-5-carboxylate
CID 139461467
methyl 3-(3,5-dichlorophenyl)-4-ethyl-5-phenyl-1H-pyrrole-2-carboxylate
CID 135385224
methyl 5-ethyl-2-sulfanylidene-1,3-dihydroimidazole-4-carboxylate
CID 117225161
methyl 4-ethyl-6-fluoro-1H-indole-2-carboxylate
CID 146155137
methyl 2-chloro-5-ethyl-6-methylpyridine-3-carboxylate
CID 15228412
methyl 3-ethyl-4,5-dihydro-1H-indole-2-carboxylate
CID 10013183
methyl 7-chloro-5-ethyl-4-hydroxy-2-oxo-1H-quinoline-3-carboxylate
CID 54726653
dimethyl 3-(2,3-dichlorophenyl)-1H-pyrrole-2,5-dicarboxylate
CID 12832892
methyl 4,5-dibromo-3-chloro-1H-pyrrole-2-carboxylate
CID 23243632
methyl 5-chloro-4-cyano-2-ethylbenzoate
CID 134613450

Frequently Asked Questions

What is the IUPAC name of methyl 5-chloro-3-ethyl-1H-pyrrole-2-carboxylate?
The IUPAC name of methyl 5-chloro-3-ethyl-1H-pyrrole-2-carboxylate (CID 91196285) is methyl 5-chloro-3-ethyl-1H-pyrrole-2-carboxylate.
What is the SMILES notation for methyl 5-chloro-3-ethyl-1H-pyrrole-2-carboxylate?
The canonical SMILES for methyl 5-chloro-3-ethyl-1H-pyrrole-2-carboxylate is CCc1cc(Cl)[nH]c1C(=O)OC.
What is the InChIKey of methyl 5-chloro-3-ethyl-1H-pyrrole-2-carboxylate?
The InChIKey is UONWBNXYVBZMJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10ClNO2/c1-3-5-4-6(9)10-7(5)8(11)12-2/h4,10H,3H2,1-2H3.
What are the key properties of methyl 5-chloro-3-ethyl-1H-pyrrole-2-carboxylate?
methyl 5-chloro-3-ethyl-1H-pyrrole-2-carboxylate has a molecular weight of 187.63 g/mol, XLogP of 2.02, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-chloro-3-ethyl-1H-pyrrole-2-carboxylate is sourced from PubChem (CID 91196285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).