6-chloro-5-fluoropyridine-2-carboxamide

C6H4ClFN2O — CID 131442964

IUPAC6-chloro-5-fluoropyridine-2-carboxamide
SMILESNC(=O)c1ccc(F)c(Cl)n1
InChIInChI=1S/C6H4ClFN2O/c7-5-3(8)1-2-4(10-5)6(9)11/h1-2H,(H2,9,11)
InChIKeyKCKZWOLXBBEMGK-UHFFFAOYSA-N
MW174.56 g/mol
LogP0.97
Rot. Bonds1

About 6-chloro-5-fluoropyridine-2-carboxamide

6-chloro-5-fluoropyridine-2-carboxamide (PubChem CID 131442964) has the molecular formula C6H4ClFN2O and a molecular weight of 174.56 g/mol. Its IUPAC name is 6-chloro-5-fluoropyridine-2-carboxamide.

Molecular Properties

Compound Name6-chloro-5-fluoropyridine-2-carboxamide
PubChem CID131442964
Molecular FormulaC6H4ClFN2O
Molecular Weight174.56 g/mol
Exact Mass174.00
IUPAC Name6-chloro-5-fluoropyridine-2-carboxamide
SMILESNC(=O)c1ccc(F)c(Cl)n1
InChIInChI=1S/C6H4ClFN2O/c7-5-3(8)1-2-4(10-5)6(9)11/h1-2H,(H2,9,11)
InChIKeyKCKZWOLXBBEMGK-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-5-fluoropyridine-2-carboxamide?
The IUPAC name of 6-chloro-5-fluoropyridine-2-carboxamide (CID 131442964) is 6-chloro-5-fluoropyridine-2-carboxamide.
What is the SMILES notation for 6-chloro-5-fluoropyridine-2-carboxamide?
The canonical SMILES for 6-chloro-5-fluoropyridine-2-carboxamide is NC(=O)c1ccc(F)c(Cl)n1.
What is the InChIKey of 6-chloro-5-fluoropyridine-2-carboxamide?
The InChIKey is KCKZWOLXBBEMGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4ClFN2O/c7-5-3(8)1-2-4(10-5)6(9)11/h1-2H,(H2,9,11).
What are the key properties of 6-chloro-5-fluoropyridine-2-carboxamide?
6-chloro-5-fluoropyridine-2-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 6-chloro-5-fluoropyridine-2-carboxamide is sourced from PubChem (CID 131442964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).