4-chloro-5-fluoropyridine-3-carboxamide

C6H4ClFN2O — CID 99981298

IUPAC4-chloro-5-fluoropyridine-3-carboxamide
SMILESNC(=O)c1cncc(F)c1Cl
InChIInChI=1S/C6H4ClFN2O/c7-5-3(6(9)11)1-10-2-4(5)8/h1-2H,(H2,9,11)
InChIKeyLNPAQBUHUSHPMB-UHFFFAOYSA-N
MW174.56 g/mol
LogP0.97
Rot. Bonds1

About 4-chloro-5-fluoropyridine-3-carboxamide

4-chloro-5-fluoropyridine-3-carboxamide (PubChem CID 99981298) has the molecular formula C6H4ClFN2O and a molecular weight of 174.56 g/mol. Its IUPAC name is 4-chloro-5-fluoropyridine-3-carboxamide.

Molecular Properties

Compound Name4-chloro-5-fluoropyridine-3-carboxamide
PubChem CID99981298
Molecular FormulaC6H4ClFN2O
Molecular Weight174.56 g/mol
Exact Mass174.00
IUPAC Name4-chloro-5-fluoropyridine-3-carboxamide
SMILESNC(=O)c1cncc(F)c1Cl
InChIInChI=1S/C6H4ClFN2O/c7-5-3(6(9)11)1-10-2-4(5)8/h1-2H,(H2,9,11)
InChIKeyLNPAQBUHUSHPMB-UHFFFAOYSA-N
XLogP0.97
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.56
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-fluoropyridine-3-carboxamide?
The IUPAC name of 4-chloro-5-fluoropyridine-3-carboxamide (CID 99981298) is 4-chloro-5-fluoropyridine-3-carboxamide.
What is the SMILES notation for 4-chloro-5-fluoropyridine-3-carboxamide?
The canonical SMILES for 4-chloro-5-fluoropyridine-3-carboxamide is NC(=O)c1cncc(F)c1Cl.
What is the InChIKey of 4-chloro-5-fluoropyridine-3-carboxamide?
The InChIKey is LNPAQBUHUSHPMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4ClFN2O/c7-5-3(6(9)11)1-10-2-4(5)8/h1-2H,(H2,9,11).
What are the key properties of 4-chloro-5-fluoropyridine-3-carboxamide?
4-chloro-5-fluoropyridine-3-carboxamide has a molecular weight of 174.56 g/mol, XLogP of 0.97, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-fluoropyridine-3-carboxamide is sourced from PubChem (CID 99981298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).