N-(6-cyano-3-pyridinyl)-2-fluoroacetamide

C8H6FN3O — CID 44574260

IUPACN-(6-cyano-3-pyridinyl)-2-fluoroacetamide
SMILESN#Cc1ccc(NC(=O)CF)cn1
InChIInChI=1S/C8H6FN3O/c9-3-8(13)12-7-2-1-6(4-10)11-5-7/h1-2,5H,3H2,(H,12,13)
InChIKeyYAJRWHPHVXTDOV-UHFFFAOYSA-N
MW179.15 g/mol
LogP0.86
Rot. Bonds2

About N-(6-cyano-3-pyridinyl)-2-fluoroacetamide

N-(6-cyano-3-pyridinyl)-2-fluoroacetamide (PubChem CID 44574260) has the molecular formula C8H6FN3O and a molecular weight of 179.15 g/mol. Its IUPAC name is N-(6-cyano-3-pyridinyl)-2-fluoroacetamide.

Molecular Properties

Compound NameN-(6-cyano-3-pyridinyl)-2-fluoroacetamide
PubChem CID44574260
Molecular FormulaC8H6FN3O
Molecular Weight179.15 g/mol
Exact Mass179.05
IUPAC NameN-(6-cyano-3-pyridinyl)-2-fluoroacetamide
SMILESN#Cc1ccc(NC(=O)CF)cn1
InChIInChI=1S/C8H6FN3O/c9-3-8(13)12-7-2-1-6(4-10)11-5-7/h1-2,5H,3H2,(H,12,13)
InChIKeyYAJRWHPHVXTDOV-UHFFFAOYSA-N
XLogP0.86
TPSA65.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.15
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-Acetamidopyridine
CID 79978
1-(3-Fluorophenyl)-3-(3-pyridyl)urea
CID 853873
2-chloro-N-(6-cyanopyridin-3-yl)propanamide
CID 25141337
N-(propan-2-yl)-N'-(pyridin-2-ylmethyl)ethanediamide
CID 2053858
N-phenyl-N'-pyridin-3-yloxamide
CID 1949535
N-(pyridin-3-yl)prop-2-enamide
CID 43616243
5-Amino-2-methylpyridine
CID 243313
2-cyano-N-(pyridin-4-yl)acetamide
CID 2806410
N-(pyridin-2-ylmethyl)acetamide
CID 5084090
2-[(3-Pyridinylamino)methylidene]propanedinitrile
CID 2485743
2-Methyl-1-phenylcarbamoylmethyl-pyridinium
CID 24746771
2-(2-Pyridinyl)-6-(trifluoromethyl)-4-pyrimidinol
CID 135409931

Frequently Asked Questions

What is the IUPAC name of N-(6-cyano-3-pyridinyl)-2-fluoroacetamide?
The IUPAC name of N-(6-cyano-3-pyridinyl)-2-fluoroacetamide (CID 44574260) is N-(6-cyano-3-pyridinyl)-2-fluoroacetamide.
What is the SMILES notation for N-(6-cyano-3-pyridinyl)-2-fluoroacetamide?
The canonical SMILES for N-(6-cyano-3-pyridinyl)-2-fluoroacetamide is N#Cc1ccc(NC(=O)CF)cn1.
What is the InChIKey of N-(6-cyano-3-pyridinyl)-2-fluoroacetamide?
The InChIKey is YAJRWHPHVXTDOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6FN3O/c9-3-8(13)12-7-2-1-6(4-10)11-5-7/h1-2,5H,3H2,(H,12,13).
What are the key properties of N-(6-cyano-3-pyridinyl)-2-fluoroacetamide?
N-(6-cyano-3-pyridinyl)-2-fluoroacetamide has a molecular weight of 179.15 g/mol, XLogP of 0.86, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-cyano-3-pyridinyl)-2-fluoroacetamide is sourced from PubChem (CID 44574260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).