N-(2,6-difluoro-3-pyridinyl)propanamide

C8H8F2N2O — CID 103097672

IUPACN-(2,6-difluoro-3-pyridinyl)propanamide
SMILESCCC(=O)Nc1ccc(F)nc1F
InChIInChI=1S/C8H8F2N2O/c1-2-7(13)11-5-3-4-6(9)12-8(5)10/h3-4H,2H2,1H3,(H,11,13)
InChIKeyDPESRBYDYUSMFT-UHFFFAOYSA-N
MW186.16 g/mol
LogP1.71
Rot. Bonds2

About N-(2,6-difluoro-3-pyridinyl)propanamide

N-(2,6-difluoro-3-pyridinyl)propanamide (PubChem CID 103097672) has the molecular formula C8H8F2N2O and a molecular weight of 186.16 g/mol. Its IUPAC name is N-(2,6-difluoro-3-pyridinyl)propanamide.

Molecular Properties

Compound NameN-(2,6-difluoro-3-pyridinyl)propanamide
PubChem CID103097672
Molecular FormulaC8H8F2N2O
Molecular Weight186.16 g/mol
Exact Mass186.06
IUPAC NameN-(2,6-difluoro-3-pyridinyl)propanamide
SMILESCCC(=O)Nc1ccc(F)nc1F
InChIInChI=1S/C8H8F2N2O/c1-2-7(13)11-5-3-4-6(9)12-8(5)10/h3-4H,2H2,1H3,(H,11,13)
InChIKeyDPESRBYDYUSMFT-UHFFFAOYSA-N
XLogP1.71
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.16
LogP ≤ 51.71
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

3-Acetamidopyridine
CID 79978
2,2-dimethyl-N-(pyridin-3-yl)propanamide
CID 4655044
Acetamide, 2,2,2-trifluoro-N-3-pyridinyl-
CID 605298
2-Methyl-n-(pyridin-3-yl)propanamide
CID 281701
2-Fluoro-6-methylpyridin-3-amine
CID 17750148
6-Fluoro-2-methylpyridin-3-amine
CID 24729240
2,6-Difluoropyridin-3-amine
CID 45080006
6-Fluoro-2-iodopyridin-3-amine
CID 56924478
2-Ethyl-6-(trifluoromethyl)pyridin-3-amine
CID 90433896
2,5,6-Trifluoropyridin-3-amine
CID 130055555
N-(pyridin-3-yl)propanamide
CID 5146703
4-{[2-Methyl-6-(trifluoromethyl)pyridin-3-yl]amino}-4-oxobut-2-enoic acid
CID 2795905

Frequently Asked Questions

What is the IUPAC name of N-(2,6-difluoro-3-pyridinyl)propanamide?
The IUPAC name of N-(2,6-difluoro-3-pyridinyl)propanamide (CID 103097672) is N-(2,6-difluoro-3-pyridinyl)propanamide.
What is the SMILES notation for N-(2,6-difluoro-3-pyridinyl)propanamide?
The canonical SMILES for N-(2,6-difluoro-3-pyridinyl)propanamide is CCC(=O)Nc1ccc(F)nc1F.
What is the InChIKey of N-(2,6-difluoro-3-pyridinyl)propanamide?
The InChIKey is DPESRBYDYUSMFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F2N2O/c1-2-7(13)11-5-3-4-6(9)12-8(5)10/h3-4H,2H2,1H3,(H,11,13).
What are the key properties of N-(2,6-difluoro-3-pyridinyl)propanamide?
N-(2,6-difluoro-3-pyridinyl)propanamide has a molecular weight of 186.16 g/mol, XLogP of 1.71, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-difluoro-3-pyridinyl)propanamide is sourced from PubChem (CID 103097672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).