4-fluoro-5-isocyano-2-methylpyridine

C7H5FN2 — CID 87413452

IUPAC4-fluoro-5-isocyano-2-methylpyridine
SMILES[C-]#[N+]c1cnc(C)cc1F
InChIInChI=1S/C7H5FN2/c1-5-3-6(8)7(9-2)4-10-5/h3-4H,1H3
InChIKeyNOHKQBRUTCVHPT-UHFFFAOYSA-N
MW136.13 g/mol
LogP2.08
Rot. Bonds

About 4-fluoro-5-isocyano-2-methylpyridine

4-fluoro-5-isocyano-2-methylpyridine (PubChem CID 87413452) has the molecular formula C7H5FN2 and a molecular weight of 136.13 g/mol. Its IUPAC name is 4-fluoro-5-isocyano-2-methylpyridine.

Molecular Properties

Compound Name4-fluoro-5-isocyano-2-methylpyridine
PubChem CID87413452
Molecular FormulaC7H5FN2
Molecular Weight136.13 g/mol
Exact Mass136.04
IUPAC Name4-fluoro-5-isocyano-2-methylpyridine
SMILES[C-]#[N+]c1cnc(C)cc1F
InChIInChI=1S/C7H5FN2/c1-5-3-6(8)7(9-2)4-10-5/h3-4H,1H3
InChIKeyNOHKQBRUTCVHPT-UHFFFAOYSA-N
XLogP2.08
TPSA17.25 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.13
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-5-isocyano-2-methylpyridine?
The IUPAC name of 4-fluoro-5-isocyano-2-methylpyridine (CID 87413452) is 4-fluoro-5-isocyano-2-methylpyridine.
What is the SMILES notation for 4-fluoro-5-isocyano-2-methylpyridine?
The canonical SMILES for 4-fluoro-5-isocyano-2-methylpyridine is [C-]#[N+]c1cnc(C)cc1F.
What is the InChIKey of 4-fluoro-5-isocyano-2-methylpyridine?
The InChIKey is NOHKQBRUTCVHPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5FN2/c1-5-3-6(8)7(9-2)4-10-5/h3-4H,1H3.
What are the key properties of 4-fluoro-5-isocyano-2-methylpyridine?
4-fluoro-5-isocyano-2-methylpyridine has a molecular weight of 136.13 g/mol, XLogP of 2.08, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-5-isocyano-2-methylpyridine is sourced from PubChem (CID 87413452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).