4-(difluoromethyl)-5,6-difluoropyridine-2-carboxamide

C7H4F4N2O — CID 119022721

IUPAC4-(difluoromethyl)-5,6-difluoropyridine-2-carboxamide
SMILESNC(=O)c1cc(C(F)F)c(F)c(F)n1
InChIInChI=1S/C7H4F4N2O/c8-4-2(5(9)10)1-3(7(12)14)13-6(4)11/h1,5H,(H2,12,14)
InChIKeyPTLUZBBAPMDNHK-UHFFFAOYSA-N
MW208.11 g/mol
LogP1.40
Rot. Bonds2

About 4-(difluoromethyl)-5,6-difluoropyridine-2-carboxamide

4-(difluoromethyl)-5,6-difluoropyridine-2-carboxamide (PubChem CID 119022721) has the molecular formula C7H4F4N2O and a molecular weight of 208.11 g/mol. Its IUPAC name is 4-(difluoromethyl)-5,6-difluoropyridine-2-carboxamide.

Molecular Properties

Compound Name4-(difluoromethyl)-5,6-difluoropyridine-2-carboxamide
PubChem CID119022721
Molecular FormulaC7H4F4N2O
Molecular Weight208.11 g/mol
Exact Mass208.03
IUPAC Name4-(difluoromethyl)-5,6-difluoropyridine-2-carboxamide
SMILESNC(=O)c1cc(C(F)F)c(F)c(F)n1
InChIInChI=1S/C7H4F4N2O/c8-4-2(5(9)10)1-3(7(12)14)13-6(4)11/h1,5H,(H2,12,14)
InChIKeyPTLUZBBAPMDNHK-UHFFFAOYSA-N
XLogP1.40
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.11
LogP ≤ 51.40
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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Related Compounds

4-(difluoromethyl)-5-fluoro-6-methylpyridine-2-carboxamide
CID 118851932
6-cyano-4-(difluoromethyl)-5-fluoropyridine-2-carboxamide
CID 119024543
5,6-diamino-4-(difluoromethyl)pyridine-2-carboxamide
CID 119003391
4-(difluoromethyl)-5-hydroxy-6-iodopyridine-2-carboxamide
CID 118840847
6-chloro-4-(difluoromethyl)-5-methylpyridine-2-carboxamide
CID 118990312
4-chloro-6-(difluoromethyl)-5-fluoropyridine-2-carboxamide
CID 130072220
5-(difluoromethyl)-3,6-difluoropyridine-2-carboxamide
CID 119003203
4-(difluoromethyl)-6-fluoro-5-methylpyridine-2-carboxylic acid
CID 118846863
5-chloro-3-(difluoromethyl)-6-fluoropyridine-2-carboxamide
CID 130072214
6-bromo-5-(difluoromethyl)-4-fluoropyridine-2-carboxamide
CID 119015693
6-chloro-4-(difluoromethyl)-2-fluoropyridine-3-carboxamide
CID 130072196
6-amino-5-(difluoromethyl)pyridine-2-carboxamide
CID 119001621

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethyl)-5,6-difluoropyridine-2-carboxamide?
The IUPAC name of 4-(difluoromethyl)-5,6-difluoropyridine-2-carboxamide (CID 119022721) is 4-(difluoromethyl)-5,6-difluoropyridine-2-carboxamide.
What is the SMILES notation for 4-(difluoromethyl)-5,6-difluoropyridine-2-carboxamide?
The canonical SMILES for 4-(difluoromethyl)-5,6-difluoropyridine-2-carboxamide is NC(=O)c1cc(C(F)F)c(F)c(F)n1.
What is the InChIKey of 4-(difluoromethyl)-5,6-difluoropyridine-2-carboxamide?
The InChIKey is PTLUZBBAPMDNHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4F4N2O/c8-4-2(5(9)10)1-3(7(12)14)13-6(4)11/h1,5H,(H2,12,14).
What are the key properties of 4-(difluoromethyl)-5,6-difluoropyridine-2-carboxamide?
4-(difluoromethyl)-5,6-difluoropyridine-2-carboxamide has a molecular weight of 208.11 g/mol, XLogP of 1.40, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethyl)-5,6-difluoropyridine-2-carboxamide is sourced from PubChem (CID 119022721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).