1-(4-fluorophenyl)-4H-pyridine-3-carboxamide

C12H11FN2O — CID 14417303

IUPAC1-(4-fluorophenyl)-4H-pyridine-3-carboxamide
SMILESNC(=O)C1=CN(c2ccc(F)cc2)C=CC1
InChIInChI=1S/C12H11FN2O/c13-10-3-5-11(6-4-10)15-7-1-2-9(8-15)12(14)16/h1,3-8H,2H2,(H2,14,16)
InChIKeyDISRMRIWCKCVSF-UHFFFAOYSA-N
MW218.23 g/mol
LogP1.92
Rot. Bonds2

About 1-(4-fluorophenyl)-4H-pyridine-3-carboxamide

1-(4-fluorophenyl)-4H-pyridine-3-carboxamide (PubChem CID 14417303) has the molecular formula C12H11FN2O and a molecular weight of 218.23 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-4H-pyridine-3-carboxamide.

Molecular Properties

Compound Name1-(4-fluorophenyl)-4H-pyridine-3-carboxamide
PubChem CID14417303
Molecular FormulaC12H11FN2O
Molecular Weight218.23 g/mol
Exact Mass218.09
IUPAC Name1-(4-fluorophenyl)-4H-pyridine-3-carboxamide
SMILESNC(=O)C1=CN(c2ccc(F)cc2)C=CC1
InChIInChI=1S/C12H11FN2O/c13-10-3-5-11(6-4-10)15-7-1-2-9(8-15)12(14)16/h1,3-8H,2H2,(H2,14,16)
InChIKeyDISRMRIWCKCVSF-UHFFFAOYSA-N
XLogP1.92
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.23
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-4H-pyridine-3-carboxamide?
The IUPAC name of 1-(4-fluorophenyl)-4H-pyridine-3-carboxamide (CID 14417303) is 1-(4-fluorophenyl)-4H-pyridine-3-carboxamide.
What is the SMILES notation for 1-(4-fluorophenyl)-4H-pyridine-3-carboxamide?
The canonical SMILES for 1-(4-fluorophenyl)-4H-pyridine-3-carboxamide is NC(=O)C1=CN(c2ccc(F)cc2)C=CC1.
What is the InChIKey of 1-(4-fluorophenyl)-4H-pyridine-3-carboxamide?
The InChIKey is DISRMRIWCKCVSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FN2O/c13-10-3-5-11(6-4-10)15-7-1-2-9(8-15)12(14)16/h1,3-8H,2H2,(H2,14,16).
What are the key properties of 1-(4-fluorophenyl)-4H-pyridine-3-carboxamide?
1-(4-fluorophenyl)-4H-pyridine-3-carboxamide has a molecular weight of 218.23 g/mol, XLogP of 1.92, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-4H-pyridine-3-carboxamide is sourced from PubChem (CID 14417303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).