2-(2-fluorophenyl)-5-pyridin-4-yl-1H-pyrrole-3-carboxamide

C16H12FN3O — CID 24809690

IUPAC2-(2-fluorophenyl)-5-pyridin-4-yl-1H-pyrrole-3-carboxamide
SMILESNC(=O)c1cc(-c2ccncc2)[nH]c1-c1ccccc1F
InChIInChI=1S/C16H12FN3O/c17-13-4-2-1-3-11(13)15-12(16(18)21)9-14(20-15)10-5-7-19-8-6-10/h1-9,20H,(H2,18,21)
InChIKeyMPTYZJWCCYPGET-UHFFFAOYSA-N
MW281.29 g/mol
LogP2.98
Rot. Bonds3

About 2-(2-fluorophenyl)-5-pyridin-4-yl-1H-pyrrole-3-carboxamide

2-(2-fluorophenyl)-5-pyridin-4-yl-1H-pyrrole-3-carboxamide (PubChem CID 24809690) has the molecular formula C16H12FN3O and a molecular weight of 281.29 g/mol. Its IUPAC name is 2-(2-fluorophenyl)-5-pyridin-4-yl-1H-pyrrole-3-carboxamide.

Molecular Properties

Compound Name2-(2-fluorophenyl)-5-pyridin-4-yl-1H-pyrrole-3-carboxamide
PubChem CID24809690
Molecular FormulaC16H12FN3O
Molecular Weight281.29 g/mol
Exact Mass281.10
IUPAC Name2-(2-fluorophenyl)-5-pyridin-4-yl-1H-pyrrole-3-carboxamide
SMILESNC(=O)c1cc(-c2ccncc2)[nH]c1-c1ccccc1F
InChIInChI=1S/C16H12FN3O/c17-13-4-2-1-3-11(13)15-12(16(18)21)9-14(20-15)10-5-7-19-8-6-10/h1-9,20H,(H2,18,21)
InChIKeyMPTYZJWCCYPGET-UHFFFAOYSA-N
XLogP2.98
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.29
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenyl)-5-pyridin-4-yl-1H-pyrrole-3-carboxamide?
The IUPAC name of 2-(2-fluorophenyl)-5-pyridin-4-yl-1H-pyrrole-3-carboxamide (CID 24809690) is 2-(2-fluorophenyl)-5-pyridin-4-yl-1H-pyrrole-3-carboxamide.
What is the SMILES notation for 2-(2-fluorophenyl)-5-pyridin-4-yl-1H-pyrrole-3-carboxamide?
The canonical SMILES for 2-(2-fluorophenyl)-5-pyridin-4-yl-1H-pyrrole-3-carboxamide is NC(=O)c1cc(-c2ccncc2)[nH]c1-c1ccccc1F.
What is the InChIKey of 2-(2-fluorophenyl)-5-pyridin-4-yl-1H-pyrrole-3-carboxamide?
The InChIKey is MPTYZJWCCYPGET-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12FN3O/c17-13-4-2-1-3-11(13)15-12(16(18)21)9-14(20-15)10-5-7-19-8-6-10/h1-9,20H,(H2,18,21).
What are the key properties of 2-(2-fluorophenyl)-5-pyridin-4-yl-1H-pyrrole-3-carboxamide?
2-(2-fluorophenyl)-5-pyridin-4-yl-1H-pyrrole-3-carboxamide has a molecular weight of 281.29 g/mol, XLogP of 2.98, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenyl)-5-pyridin-4-yl-1H-pyrrole-3-carboxamide is sourced from PubChem (CID 24809690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).