N-[1-(2,2-difluoroethyl)-5-methyl-6-oxo-3-pyridinyl]formamide

C9H10F2N2O2 — CID 153398186

IUPACN-[1-(2,2-difluoroethyl)-5-methyl-6-oxo-3-pyridinyl]formamide
SMILESCc1cc(NC=O)cn(CC(F)F)c1=O
InChIInChI=1S/C9H10F2N2O2/c1-6-2-7(12-5-14)3-13(9(6)15)4-8(10)11/h2-3,5,8H,4H2,1H3,(H,12,14)
InChIKeyDDNJVSJTNGDBTG-UHFFFAOYSA-N
MW216.19 g/mol
LogP0.99
Rot. Bonds4

About N-[1-(2,2-difluoroethyl)-5-methyl-6-oxo-3-pyridinyl]formamide

N-[1-(2,2-difluoroethyl)-5-methyl-6-oxo-3-pyridinyl]formamide (PubChem CID 153398186) has the molecular formula C9H10F2N2O2 and a molecular weight of 216.19 g/mol. Its IUPAC name is N-[1-(2,2-difluoroethyl)-5-methyl-6-oxo-3-pyridinyl]formamide.

Molecular Properties

Compound NameN-[1-(2,2-difluoroethyl)-5-methyl-6-oxo-3-pyridinyl]formamide
PubChem CID153398186
Molecular FormulaC9H10F2N2O2
Molecular Weight216.19 g/mol
Exact Mass216.07
IUPAC NameN-[1-(2,2-difluoroethyl)-5-methyl-6-oxo-3-pyridinyl]formamide
SMILESCc1cc(NC=O)cn(CC(F)F)c1=O
InChIInChI=1S/C9H10F2N2O2/c1-6-2-7(12-5-14)3-13(9(6)15)4-8(10)11/h2-3,5,8H,4H2,1H3,(H,12,14)
InChIKeyDDNJVSJTNGDBTG-UHFFFAOYSA-N
XLogP0.99
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.19
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

2,2-dimethyl-N-[2-oxo-2-[[2-oxo-1-(2,2,2-trifluoroethyl)-3-pyridinyl]amino]ethyl]propanamide
CID 71971522
1-(3-Aminopropyl)-3-(trifluoromethyl)pyridin-2-one
CID 59225309
6-(Difluoromethyl)-N-isopropyl-2-oxo-1,2-dihydropyridine-3-carboxamide
CID 59828239
N,1-dimethyl-2-oxo-6-(trifluoromethyl)pyridine-3-carboxamide
CID 68491556
5-Amino-3-(trifluoromethyl)pyridin-2(1H)-one
CID 71305235
5-[bis(2,2,2-trifluoroethyl)amino]-3-(trifluoromethyl)-1H-pyridin-2-one
CID 71565316
5-[2,2,2-trifluoroethyl(1,1,1-trifluoropropan-2-yl)amino]-3-(trifluoromethyl)-1H-pyridin-2-one
CID 142728230
3-(trifluoromethyl)-5-(1,1,1-trifluoropropan-2-ylamino)-1H-pyridin-2-one
CID 142728233
5-[propan-2-yl(2,2,2-trifluoroethyl)amino]-3-(trifluoromethyl)-1H-pyridin-2-one
CID 142728234
5-(propan-2-ylamino)-3-(trifluoromethyl)-1H-pyridin-2-one
CID 142728235
5-(2,2,2-trifluoroethylamino)-3-(trifluoromethyl)-1H-pyridin-2-one
CID 142728237
6-(Difluoromethyl)-2-oxo-1-propan-2-ylpyridine-3-carboxamide
CID 154046702

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,2-difluoroethyl)-5-methyl-6-oxo-3-pyridinyl]formamide?
The IUPAC name of N-[1-(2,2-difluoroethyl)-5-methyl-6-oxo-3-pyridinyl]formamide (CID 153398186) is N-[1-(2,2-difluoroethyl)-5-methyl-6-oxo-3-pyridinyl]formamide.
What is the SMILES notation for N-[1-(2,2-difluoroethyl)-5-methyl-6-oxo-3-pyridinyl]formamide?
The canonical SMILES for N-[1-(2,2-difluoroethyl)-5-methyl-6-oxo-3-pyridinyl]formamide is Cc1cc(NC=O)cn(CC(F)F)c1=O.
What is the InChIKey of N-[1-(2,2-difluoroethyl)-5-methyl-6-oxo-3-pyridinyl]formamide?
The InChIKey is DDNJVSJTNGDBTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F2N2O2/c1-6-2-7(12-5-14)3-13(9(6)15)4-8(10)11/h2-3,5,8H,4H2,1H3,(H,12,14).
What are the key properties of N-[1-(2,2-difluoroethyl)-5-methyl-6-oxo-3-pyridinyl]formamide?
N-[1-(2,2-difluoroethyl)-5-methyl-6-oxo-3-pyridinyl]formamide has a molecular weight of 216.19 g/mol, XLogP of 0.99, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,2-difluoroethyl)-5-methyl-6-oxo-3-pyridinyl]formamide is sourced from PubChem (CID 153398186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).