3-(difluoromethyl)-2-fluoropyridine-4-carboxamide

C7H5F3N2O — CID 130096554

IUPAC3-(difluoromethyl)-2-fluoropyridine-4-carboxamide
SMILESNC(=O)c1ccnc(F)c1C(F)F
InChIInChI=1S/C7H5F3N2O/c8-5(9)4-3(7(11)13)1-2-12-6(4)10/h1-2,5H,(H2,11,13)
InChIKeyMKYZBFCNXZBOCV-UHFFFAOYSA-N
MW190.12 g/mol
LogP1.26
Rot. Bonds2

About 3-(difluoromethyl)-2-fluoropyridine-4-carboxamide

3-(difluoromethyl)-2-fluoropyridine-4-carboxamide (PubChem CID 130096554) has the molecular formula C7H5F3N2O and a molecular weight of 190.12 g/mol. Its IUPAC name is 3-(difluoromethyl)-2-fluoropyridine-4-carboxamide.

Molecular Properties

Compound Name3-(difluoromethyl)-2-fluoropyridine-4-carboxamide
PubChem CID130096554
Molecular FormulaC7H5F3N2O
Molecular Weight190.12 g/mol
Exact Mass190.04
IUPAC Name3-(difluoromethyl)-2-fluoropyridine-4-carboxamide
SMILESNC(=O)c1ccnc(F)c1C(F)F
InChIInChI=1S/C7H5F3N2O/c8-5(9)4-3(7(11)13)1-2-12-6(4)10/h1-2,5H,(H2,11,13)
InChIKeyMKYZBFCNXZBOCV-UHFFFAOYSA-N
XLogP1.26
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.12
LogP ≤ 51.26
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

2-(bromomethyl)-3-(difluoromethyl)pyridine-4-carboxamide
CID 130098306
4-chloro-5-(difluoromethyl)-6-fluoropyridine-3-carboxamide
CID 118833693
2-bromo-3-(difluoromethyl)pyridine-4-carboxylic acid
CID 118990825
5-chloro-3-(difluoromethyl)-2-fluoropyridine-4-carboxamide
CID 130072218
3-fluoro-2-hydrazinylpyridine-4-carboxamide
CID 105388119
3-amino-2-bromopyridine-4-carboxamide
CID 112757948
2-amino-3-(difluoromethyl)-6-fluoropyridine-4-carboxamide
CID 118998716
4-chloro-5-(difluoromethyl)-6-fluoropyridine-3-carboxylic acid
CID 118839306
5-(difluoromethyl)-4,6-dimethylpyridine-3-carboxamide
CID 130101517
6-bromo-5-(difluoromethyl)-4-fluoropyridine-2-carboxamide
CID 119015693
4-amino-5-(difluoromethyl)-6-methylpyridine-3-carboxamide
CID 118818070
4-amino-6-chloro-5-(difluoromethyl)pyridine-3-carboxamide
CID 118839727

Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethyl)-2-fluoropyridine-4-carboxamide?
The IUPAC name of 3-(difluoromethyl)-2-fluoropyridine-4-carboxamide (CID 130096554) is 3-(difluoromethyl)-2-fluoropyridine-4-carboxamide.
What is the SMILES notation for 3-(difluoromethyl)-2-fluoropyridine-4-carboxamide?
The canonical SMILES for 3-(difluoromethyl)-2-fluoropyridine-4-carboxamide is NC(=O)c1ccnc(F)c1C(F)F.
What is the InChIKey of 3-(difluoromethyl)-2-fluoropyridine-4-carboxamide?
The InChIKey is MKYZBFCNXZBOCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5F3N2O/c8-5(9)4-3(7(11)13)1-2-12-6(4)10/h1-2,5H,(H2,11,13).
What are the key properties of 3-(difluoromethyl)-2-fluoropyridine-4-carboxamide?
3-(difluoromethyl)-2-fluoropyridine-4-carboxamide has a molecular weight of 190.12 g/mol, XLogP of 1.26, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethyl)-2-fluoropyridine-4-carboxamide is sourced from PubChem (CID 130096554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).