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

C11H8ClFN2O2 — CID 69084327

IUPACmethyl 1-(3-chloro-5-fluoro-2-pyridinyl)pyrrole-2-carboxylate
SMILESCOC(=O)c1cccn1-c1ncc(F)cc1Cl
InChIInChI=1S/C11H8ClFN2O2/c1-17-11(16)9-3-2-4-15(9)10-8(12)5-7(13)6-14-10/h2-6H,1H3
InChIKeyRWVRGMPTKSURET-UHFFFAOYSA-N
MW254.65 g/mol
LogP2.45
Rot. Bonds2

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

methyl 1-(3-chloro-5-fluoro-2-pyridinyl)pyrrole-2-carboxylate (PubChem CID 69084327) has the molecular formula C11H8ClFN2O2 and a molecular weight of 254.65 g/mol. Its IUPAC name is methyl 1-(3-chloro-5-fluoro-2-pyridinyl)pyrrole-2-carboxylate.

Molecular Properties

Compound Namemethyl 1-(3-chloro-5-fluoro-2-pyridinyl)pyrrole-2-carboxylate
PubChem CID69084327
Molecular FormulaC11H8ClFN2O2
Molecular Weight254.65 g/mol
Exact Mass254.03
IUPAC Namemethyl 1-(3-chloro-5-fluoro-2-pyridinyl)pyrrole-2-carboxylate
SMILESCOC(=O)c1cccn1-c1ncc(F)cc1Cl
InChIInChI=1S/C11H8ClFN2O2/c1-17-11(16)9-3-2-4-15(9)10-8(12)5-7(13)6-14-10/h2-6H,1H3
InChIKeyRWVRGMPTKSURET-UHFFFAOYSA-N
XLogP2.45
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.65
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 1-(3-chloro-5-fluoro-2-pyridinyl)pyrrole-2-carboxylate?
The IUPAC name of methyl 1-(3-chloro-5-fluoro-2-pyridinyl)pyrrole-2-carboxylate (CID 69084327) is methyl 1-(3-chloro-5-fluoro-2-pyridinyl)pyrrole-2-carboxylate.
What is the SMILES notation for methyl 1-(3-chloro-5-fluoro-2-pyridinyl)pyrrole-2-carboxylate?
The canonical SMILES for methyl 1-(3-chloro-5-fluoro-2-pyridinyl)pyrrole-2-carboxylate is COC(=O)c1cccn1-c1ncc(F)cc1Cl.
What is the InChIKey of methyl 1-(3-chloro-5-fluoro-2-pyridinyl)pyrrole-2-carboxylate?
The InChIKey is RWVRGMPTKSURET-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClFN2O2/c1-17-11(16)9-3-2-4-15(9)10-8(12)5-7(13)6-14-10/h2-6H,1H3.
What are the key properties of methyl 1-(3-chloro-5-fluoro-2-pyridinyl)pyrrole-2-carboxylate?
methyl 1-(3-chloro-5-fluoro-2-pyridinyl)pyrrole-2-carboxylate has a molecular weight of 254.65 g/mol, XLogP of 2.45, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(3-chloro-5-fluoro-2-pyridinyl)pyrrole-2-carboxylate is sourced from PubChem (CID 69084327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).