ethane;N-[(2-fluoro-3-pyridinyl)methyl]formamide

C11H19FN2O — CID 144904179

IUPACethane;N-[(2-fluoro-3-pyridinyl)methyl]formamide
SMILESCC.CC.O=CNCc1cccnc1F
InChIInChI=1S/C7H7FN2O.2C2H6/c8-7-6(4-9-5-11)2-1-3-10-7;2*1-2/h1-3,5H,4H2,(H,9,11);2*1-2H3
InChIKeySVPKXIFKDMSYBJ-UHFFFAOYSA-N
MW214.28 g/mol
LogP2.52
Rot. Bonds3

About ethane;N-[(2-fluoro-3-pyridinyl)methyl]formamide

ethane;N-[(2-fluoro-3-pyridinyl)methyl]formamide (PubChem CID 144904179) has the molecular formula C11H19FN2O and a molecular weight of 214.28 g/mol. Its IUPAC name is ethane;N-[(2-fluoro-3-pyridinyl)methyl]formamide.

Molecular Properties

Compound Nameethane;N-[(2-fluoro-3-pyridinyl)methyl]formamide
PubChem CID144904179
Molecular FormulaC11H19FN2O
Molecular Weight214.28 g/mol
Exact Mass214.15
IUPAC Nameethane;N-[(2-fluoro-3-pyridinyl)methyl]formamide
SMILESCC.CC.O=CNCc1cccnc1F
InChIInChI=1S/C7H7FN2O.2C2H6/c8-7-6(4-9-5-11)2-1-3-10-7;2*1-2/h1-3,5H,4H2,(H,9,11);2*1-2H3
InChIKeySVPKXIFKDMSYBJ-UHFFFAOYSA-N
XLogP2.52
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.28
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethane;N-[(2-fluoro-3-pyridinyl)methyl]formamide?
The IUPAC name of ethane;N-[(2-fluoro-3-pyridinyl)methyl]formamide (CID 144904179) is ethane;N-[(2-fluoro-3-pyridinyl)methyl]formamide.
What is the SMILES notation for ethane;N-[(2-fluoro-3-pyridinyl)methyl]formamide?
The canonical SMILES for ethane;N-[(2-fluoro-3-pyridinyl)methyl]formamide is CC.CC.O=CNCc1cccnc1F.
What is the InChIKey of ethane;N-[(2-fluoro-3-pyridinyl)methyl]formamide?
The InChIKey is SVPKXIFKDMSYBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7FN2O.2C2H6/c8-7-6(4-9-5-11)2-1-3-10-7;2*1-2/h1-3,5H,4H2,(H,9,11);2*1-2H3.
What are the key properties of ethane;N-[(2-fluoro-3-pyridinyl)methyl]formamide?
ethane;N-[(2-fluoro-3-pyridinyl)methyl]formamide has a molecular weight of 214.28 g/mol, XLogP of 2.52, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-[(2-fluoro-3-pyridinyl)methyl]formamide is sourced from PubChem (CID 144904179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).