[1-[(2-fluorophenyl)methyl]-2-pyridinylidene]cyanamide

C13H10FN3 — CID 19815499

IUPAC[1-[(2-fluorophenyl)methyl]-2-pyridinylidene]cyanamide
SMILESN#C/N=c1\ccccn1Cc1ccccc1F
InChIInChI=1S/C13H10FN3/c14-12-6-2-1-5-11(12)9-17-8-4-3-7-13(17)16-10-15/h1-8H,9H2/b16-13+
InChIKeyPBGXNMTZWKHAOL-DTQAZKPQSA-N
MW227.24 g/mol
LogP2.06
Rot. Bonds2

About [1-[(2-fluorophenyl)methyl]-2-pyridinylidene]cyanamide

[1-[(2-fluorophenyl)methyl]-2-pyridinylidene]cyanamide (PubChem CID 19815499) has the molecular formula C13H10FN3 and a molecular weight of 227.24 g/mol. Its IUPAC name is [1-[(2-fluorophenyl)methyl]-2-pyridinylidene]cyanamide.

Molecular Properties

Compound Name[1-[(2-fluorophenyl)methyl]-2-pyridinylidene]cyanamide
PubChem CID19815499
Molecular FormulaC13H10FN3
Molecular Weight227.24 g/mol
Exact Mass227.09
IUPAC Name[1-[(2-fluorophenyl)methyl]-2-pyridinylidene]cyanamide
SMILESN#C/N=c1\ccccn1Cc1ccccc1F
InChIInChI=1S/C13H10FN3/c14-12-6-2-1-5-11(12)9-17-8-4-3-7-13(17)16-10-15/h1-8H,9H2/b16-13+
InChIKeyPBGXNMTZWKHAOL-DTQAZKPQSA-N
XLogP2.06
TPSA41.08 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.24
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [1-[(2-fluorophenyl)methyl]-2-pyridinylidene]cyanamide?
The IUPAC name of [1-[(2-fluorophenyl)methyl]-2-pyridinylidene]cyanamide (CID 19815499) is [1-[(2-fluorophenyl)methyl]-2-pyridinylidene]cyanamide.
What is the SMILES notation for [1-[(2-fluorophenyl)methyl]-2-pyridinylidene]cyanamide?
The canonical SMILES for [1-[(2-fluorophenyl)methyl]-2-pyridinylidene]cyanamide is N#C/N=c1\ccccn1Cc1ccccc1F.
What is the InChIKey of [1-[(2-fluorophenyl)methyl]-2-pyridinylidene]cyanamide?
The InChIKey is PBGXNMTZWKHAOL-DTQAZKPQSA-N. The full InChI is InChI=1S/C13H10FN3/c14-12-6-2-1-5-11(12)9-17-8-4-3-7-13(17)16-10-15/h1-8H,9H2/b16-13+.
What are the key properties of [1-[(2-fluorophenyl)methyl]-2-pyridinylidene]cyanamide?
[1-[(2-fluorophenyl)methyl]-2-pyridinylidene]cyanamide has a molecular weight of 227.24 g/mol, XLogP of 2.06, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(2-fluorophenyl)methyl]-2-pyridinylidene]cyanamide is sourced from PubChem (CID 19815499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).