methyl 1-(5-bromo-3-chloro-2-pyridinyl)pyrrole-2-carboxylate

C11H8BrClN2O2 — CID 69084109

IUPACmethyl 1-(5-bromo-3-chloro-2-pyridinyl)pyrrole-2-carboxylate
SMILESCOC(=O)c1cccn1-c1ncc(Br)cc1Cl
InChIInChI=1S/C11H8BrClN2O2/c1-17-11(16)9-3-2-4-15(9)10-8(13)5-7(12)6-14-10/h2-6H,1H3
InChIKeyCORQZYYRXJVTMB-UHFFFAOYSA-N
MW315.55 g/mol
LogP3.07
Rot. Bonds2

About methyl 1-(5-bromo-3-chloro-2-pyridinyl)pyrrole-2-carboxylate

methyl 1-(5-bromo-3-chloro-2-pyridinyl)pyrrole-2-carboxylate (PubChem CID 69084109) has the molecular formula C11H8BrClN2O2 and a molecular weight of 315.55 g/mol. Its IUPAC name is methyl 1-(5-bromo-3-chloro-2-pyridinyl)pyrrole-2-carboxylate.

Molecular Properties

Compound Namemethyl 1-(5-bromo-3-chloro-2-pyridinyl)pyrrole-2-carboxylate
PubChem CID69084109
Molecular FormulaC11H8BrClN2O2
Molecular Weight315.55 g/mol
Exact Mass313.95
IUPAC Namemethyl 1-(5-bromo-3-chloro-2-pyridinyl)pyrrole-2-carboxylate
SMILESCOC(=O)c1cccn1-c1ncc(Br)cc1Cl
InChIInChI=1S/C11H8BrClN2O2/c1-17-11(16)9-3-2-4-15(9)10-8(13)5-7(12)6-14-10/h2-6H,1H3
InChIKeyCORQZYYRXJVTMB-UHFFFAOYSA-N
XLogP3.07
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.55
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[1-(3-chloro-5-fluoro-2-pyridinyl)pyrrol-2-yl]ethanone
CID 143866898
5-bromo-3-chloro-2-(2-methylimidazol-1-yl)pyridine
CID 103583489
methyl 1-(5-bromo-2-cyano-3-fluorophenyl)pyrrole-2-carboxylate
CID 129116886
methyl 1-[2-bromo-4-(trifluoromethyl)phenyl]pyrrole-2-carboxylate
CID 69085214
1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-[1-[4-(trifluoromethoxy)phenyl]ethyl]pyrrole-2-carboxamide
CID 87686496
1-(5-bromo-3-chloro-2-pyridinyl)-N-methoxyazetidin-3-imine
CID 126561655
methyl 5-bromopyridine-2-carboxylate
CID 7016458
methyl 5-bromo-2-iodopyridine-3-carboxylate
CID 133062005
methyl 3-(5-amino-3-chloro-2-pyridinyl)triazole-4-carboxylate
CID 134610049
methyl 2-(3,5-dichloro-2-pyridinyl)-5-methylpyrazole-3-carboxylate
CID 58158937
ethane;methyl 5-bromopyridine-2-carboxylate
CID 143416930
1-(3-chloro-2-pyridinyl)pyrrole-2-carboxamide
CID 154110164

Frequently Asked Questions

What is the IUPAC name of methyl 1-(5-bromo-3-chloro-2-pyridinyl)pyrrole-2-carboxylate?
The IUPAC name of methyl 1-(5-bromo-3-chloro-2-pyridinyl)pyrrole-2-carboxylate (CID 69084109) is methyl 1-(5-bromo-3-chloro-2-pyridinyl)pyrrole-2-carboxylate.
What is the SMILES notation for methyl 1-(5-bromo-3-chloro-2-pyridinyl)pyrrole-2-carboxylate?
The canonical SMILES for methyl 1-(5-bromo-3-chloro-2-pyridinyl)pyrrole-2-carboxylate is COC(=O)c1cccn1-c1ncc(Br)cc1Cl.
What is the InChIKey of methyl 1-(5-bromo-3-chloro-2-pyridinyl)pyrrole-2-carboxylate?
The InChIKey is CORQZYYRXJVTMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8BrClN2O2/c1-17-11(16)9-3-2-4-15(9)10-8(13)5-7(12)6-14-10/h2-6H,1H3.
What are the key properties of methyl 1-(5-bromo-3-chloro-2-pyridinyl)pyrrole-2-carboxylate?
methyl 1-(5-bromo-3-chloro-2-pyridinyl)pyrrole-2-carboxylate has a molecular weight of 315.55 g/mol, XLogP of 3.07, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(5-bromo-3-chloro-2-pyridinyl)pyrrole-2-carboxylate is sourced from PubChem (CID 69084109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).