N-(3,5-difluoro-4-formyl-2-pyridinyl)acetamide

C8H6F2N2O2 — CID 157041880

IUPACN-(3,5-difluoro-4-formyl-2-pyridinyl)acetamide
SMILESCC(=O)Nc1ncc(F)c(C=O)c1F
InChIInChI=1S/C8H6F2N2O2/c1-4(14)12-8-7(10)5(3-13)6(9)2-11-8/h2-3H,1H3,(H,11,12,14)
InChIKeyYIKSUWZGDAMIDV-UHFFFAOYSA-N
MW200.14 g/mol
LogP1.13
Rot. Bonds2

About N-(3,5-difluoro-4-formyl-2-pyridinyl)acetamide

N-(3,5-difluoro-4-formyl-2-pyridinyl)acetamide (PubChem CID 157041880) has the molecular formula C8H6F2N2O2 and a molecular weight of 200.14 g/mol. Its IUPAC name is N-(3,5-difluoro-4-formyl-2-pyridinyl)acetamide.

Molecular Properties

Compound NameN-(3,5-difluoro-4-formyl-2-pyridinyl)acetamide
PubChem CID157041880
Molecular FormulaC8H6F2N2O2
Molecular Weight200.14 g/mol
Exact Mass200.04
IUPAC NameN-(3,5-difluoro-4-formyl-2-pyridinyl)acetamide
SMILESCC(=O)Nc1ncc(F)c(C=O)c1F
InChIInChI=1S/C8H6F2N2O2/c1-4(14)12-8-7(10)5(3-13)6(9)2-11-8/h2-3H,1H3,(H,11,12,14)
InChIKeyYIKSUWZGDAMIDV-UHFFFAOYSA-N
XLogP1.13
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.14
LogP ≤ 51.13
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

N-(5-Formylpyridin-2-yl)acetamide
CID 22113222
tert-Butyl (4-formylpyridin-2-yl)carbamate
CID 21306993
2-Acetamidopyridine-4-carboxamide
CID 351655
N-(5-fluoro-4-methylpyridin-2-yl)acetamide
CID 2763162
2,2,3,3,4,4,4-heptafluoro-N-(4-methyl-2-pyridinyl)butanamide
CID 3106079
N-(5-Fluoro-3-formylpyridin-2-yl)pivalamide
CID 46318086
N-(3-Formyl-5-(trifluoromethyl)pyridin-2-yl)-pivalamide
CID 50986336
N-(3,5-difluoro-4-methyl-2-pyridinyl)acetamide
CID 58542743
N-(3,5-difluoro-4-formyl-2-pyridinyl)propane-1-sulfonamide
CID 59569606
2-Amino-5-fluoroisonicotinaldehyde
CID 72213131
Carbamic acid, N-(5-fluoro-4-formyl-2-pyridinyl)-, 1,1-dimethylethyl ester
CID 72213136
4,5-Difluoro-1H-pyrrolo[2,3-b]pyridin-2(3H)-one
CID 76847803

Frequently Asked Questions

What is the IUPAC name of N-(3,5-difluoro-4-formyl-2-pyridinyl)acetamide?
The IUPAC name of N-(3,5-difluoro-4-formyl-2-pyridinyl)acetamide (CID 157041880) is N-(3,5-difluoro-4-formyl-2-pyridinyl)acetamide.
What is the SMILES notation for N-(3,5-difluoro-4-formyl-2-pyridinyl)acetamide?
The canonical SMILES for N-(3,5-difluoro-4-formyl-2-pyridinyl)acetamide is CC(=O)Nc1ncc(F)c(C=O)c1F.
What is the InChIKey of N-(3,5-difluoro-4-formyl-2-pyridinyl)acetamide?
The InChIKey is YIKSUWZGDAMIDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F2N2O2/c1-4(14)12-8-7(10)5(3-13)6(9)2-11-8/h2-3H,1H3,(H,11,12,14).
What are the key properties of N-(3,5-difluoro-4-formyl-2-pyridinyl)acetamide?
N-(3,5-difluoro-4-formyl-2-pyridinyl)acetamide has a molecular weight of 200.14 g/mol, XLogP of 1.13, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-difluoro-4-formyl-2-pyridinyl)acetamide is sourced from PubChem (CID 157041880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).