pyrrol-1-yl 3,5-difluoropyridine-2-carboxylate

C10H6F2N2O2 — CID 175307949

IUPACpyrrol-1-yl 3,5-difluoropyridine-2-carboxylate
SMILESO=C(On1cccc1)c1ncc(F)cc1F
InChIInChI=1S/C10H6F2N2O2/c11-7-5-8(12)9(13-6-7)10(15)16-14-3-1-2-4-14/h1-6H
InChIKeyAMSMOSRJYGLRER-UHFFFAOYSA-N
MW224.17 g/mol
LogP1.43
Rot. Bonds2

About pyrrol-1-yl 3,5-difluoropyridine-2-carboxylate

pyrrol-1-yl 3,5-difluoropyridine-2-carboxylate (PubChem CID 175307949) has the molecular formula C10H6F2N2O2 and a molecular weight of 224.17 g/mol. Its IUPAC name is pyrrol-1-yl 3,5-difluoropyridine-2-carboxylate.

Molecular Properties

Compound Namepyrrol-1-yl 3,5-difluoropyridine-2-carboxylate
PubChem CID175307949
Molecular FormulaC10H6F2N2O2
Molecular Weight224.17 g/mol
Exact Mass224.04
IUPAC Namepyrrol-1-yl 3,5-difluoropyridine-2-carboxylate
SMILESO=C(On1cccc1)c1ncc(F)cc1F
InChIInChI=1S/C10H6F2N2O2/c11-7-5-8(12)9(13-6-7)10(15)16-14-3-1-2-4-14/h1-6H
InChIKeyAMSMOSRJYGLRER-UHFFFAOYSA-N
XLogP1.43
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.17
LogP ≤ 51.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of pyrrol-1-yl 3,5-difluoropyridine-2-carboxylate?
The IUPAC name of pyrrol-1-yl 3,5-difluoropyridine-2-carboxylate (CID 175307949) is pyrrol-1-yl 3,5-difluoropyridine-2-carboxylate.
What is the SMILES notation for pyrrol-1-yl 3,5-difluoropyridine-2-carboxylate?
The canonical SMILES for pyrrol-1-yl 3,5-difluoropyridine-2-carboxylate is O=C(On1cccc1)c1ncc(F)cc1F.
What is the InChIKey of pyrrol-1-yl 3,5-difluoropyridine-2-carboxylate?
The InChIKey is AMSMOSRJYGLRER-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6F2N2O2/c11-7-5-8(12)9(13-6-7)10(15)16-14-3-1-2-4-14/h1-6H.
What are the key properties of pyrrol-1-yl 3,5-difluoropyridine-2-carboxylate?
pyrrol-1-yl 3,5-difluoropyridine-2-carboxylate has a molecular weight of 224.17 g/mol, XLogP of 1.43, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for pyrrol-1-yl 3,5-difluoropyridine-2-carboxylate is sourced from PubChem (CID 175307949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).