N-[(2-fluoro-3-pyridinyl)methyl]acetamide

C8H9FN2O — CID 130400765

IUPACN-[(2-fluoro-3-pyridinyl)methyl]acetamide
SMILESCC(=O)NCc1cccnc1F
InChIInChI=1S/C8H9FN2O/c1-6(12)11-5-7-3-2-4-10-8(7)9/h2-4H,5H2,1H3,(H,11,12)
InChIKeyIZRRZJLMBMUEHK-UHFFFAOYSA-N
MW168.17 g/mol
LogP0.86
Rot. Bonds2

About N-[(2-fluoro-3-pyridinyl)methyl]acetamide

N-[(2-fluoro-3-pyridinyl)methyl]acetamide (PubChem CID 130400765) has the molecular formula C8H9FN2O and a molecular weight of 168.17 g/mol. Its IUPAC name is N-[(2-fluoro-3-pyridinyl)methyl]acetamide.

Molecular Properties

Compound NameN-[(2-fluoro-3-pyridinyl)methyl]acetamide
PubChem CID130400765
Molecular FormulaC8H9FN2O
Molecular Weight168.17 g/mol
Exact Mass168.07
IUPAC NameN-[(2-fluoro-3-pyridinyl)methyl]acetamide
SMILESCC(=O)NCc1cccnc1F
InChIInChI=1S/C8H9FN2O/c1-6(12)11-5-7-3-2-4-10-8(7)9/h2-4H,5H2,1H3,(H,11,12)
InChIKeyIZRRZJLMBMUEHK-UHFFFAOYSA-N
XLogP0.86
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.17
LogP ≤ 50.86
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

ethane;N-[(2-fluoro-3-pyridinyl)methyl]formamide
CID 144904179
(2-fluoro-3-pyridinyl)methylhydrazine;2,2,2-trifluoroacetic acid
CID 68662138
N-[[2-(2-methoxyphenoxy)-3-pyridinyl]methyl]acetamide
CID 42198309
ethane;N-[(2-ethylphenyl)methyl]acetamide
CID 142489172
ethane;N-[(3-fluoro-4-pyridinyl)methyl]acetamide
CID 171522941
2-acetamido-N-[(2-fluorophenyl)methyl]acetamide
CID 110686999
2-fluoro-N-(quinolin-8-ylmethyl)pyridine-3-carboxamide
CID 107358803
N-[(2-bromophenyl)methyl]acetamide
CID 2824953
N-[(4-ethyl-2,3-difluorophenyl)methyl]acetamide
CID 123262796
N-[[2-(sulfanylmethyl)phenyl]methyl]acetamide
CID 145293797
4-(acetamidomethyl)-N-[(2-ethoxy-3-pyridinyl)methyl]benzamide
CID 37487511
N-[(E)-(2-fluoro-3-pyridinyl)methylideneamino]acetamide
CID 87802277

Frequently Asked Questions

What is the IUPAC name of N-[(2-fluoro-3-pyridinyl)methyl]acetamide?
The IUPAC name of N-[(2-fluoro-3-pyridinyl)methyl]acetamide (CID 130400765) is N-[(2-fluoro-3-pyridinyl)methyl]acetamide.
What is the SMILES notation for N-[(2-fluoro-3-pyridinyl)methyl]acetamide?
The canonical SMILES for N-[(2-fluoro-3-pyridinyl)methyl]acetamide is CC(=O)NCc1cccnc1F.
What is the InChIKey of N-[(2-fluoro-3-pyridinyl)methyl]acetamide?
The InChIKey is IZRRZJLMBMUEHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9FN2O/c1-6(12)11-5-7-3-2-4-10-8(7)9/h2-4H,5H2,1H3,(H,11,12).
What are the key properties of N-[(2-fluoro-3-pyridinyl)methyl]acetamide?
N-[(2-fluoro-3-pyridinyl)methyl]acetamide has a molecular weight of 168.17 g/mol, XLogP of 0.86, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluoro-3-pyridinyl)methyl]acetamide is sourced from PubChem (CID 130400765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).