6-(4-fluorophenyl)-3-iodo-1-methyl-2-methylidenepyridine

C13H11FIN — CID 157160659

IUPAC6-(4-fluorophenyl)-3-iodo-1-methyl-2-methylidenepyridine
SMILESC=C1C(I)=CC=C(c2ccc(F)cc2)N1C
InChIInChI=1S/C13H11FIN/c1-9-12(15)7-8-13(16(9)2)10-3-5-11(14)6-4-10/h3-8H,1H2,2H3
InChIKeyKCTDZMKTDZXQEO-UHFFFAOYSA-N
MW327.14 g/mol
LogP3.94
Rot. Bonds1

About 6-(4-fluorophenyl)-3-iodo-1-methyl-2-methylidenepyridine

6-(4-fluorophenyl)-3-iodo-1-methyl-2-methylidenepyridine (PubChem CID 157160659) has the molecular formula C13H11FIN and a molecular weight of 327.14 g/mol. Its IUPAC name is 6-(4-fluorophenyl)-3-iodo-1-methyl-2-methylidenepyridine.

Molecular Properties

Compound Name6-(4-fluorophenyl)-3-iodo-1-methyl-2-methylidenepyridine
PubChem CID157160659
Molecular FormulaC13H11FIN
Molecular Weight327.14 g/mol
Exact Mass326.99
IUPAC Name6-(4-fluorophenyl)-3-iodo-1-methyl-2-methylidenepyridine
SMILESC=C1C(I)=CC=C(c2ccc(F)cc2)N1C
InChIInChI=1S/C13H11FIN/c1-9-12(15)7-8-13(16(9)2)10-3-5-11(14)6-4-10/h3-8H,1H2,2H3
InChIKeyKCTDZMKTDZXQEO-UHFFFAOYSA-N
XLogP3.94
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.14
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-(4-fluorophenyl)-3-iodo-1-methyl-2-methylidenepyridine?
The IUPAC name of 6-(4-fluorophenyl)-3-iodo-1-methyl-2-methylidenepyridine (CID 157160659) is 6-(4-fluorophenyl)-3-iodo-1-methyl-2-methylidenepyridine.
What is the SMILES notation for 6-(4-fluorophenyl)-3-iodo-1-methyl-2-methylidenepyridine?
The canonical SMILES for 6-(4-fluorophenyl)-3-iodo-1-methyl-2-methylidenepyridine is C=C1C(I)=CC=C(c2ccc(F)cc2)N1C.
What is the InChIKey of 6-(4-fluorophenyl)-3-iodo-1-methyl-2-methylidenepyridine?
The InChIKey is KCTDZMKTDZXQEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11FIN/c1-9-12(15)7-8-13(16(9)2)10-3-5-11(14)6-4-10/h3-8H,1H2,2H3.
What are the key properties of 6-(4-fluorophenyl)-3-iodo-1-methyl-2-methylidenepyridine?
6-(4-fluorophenyl)-3-iodo-1-methyl-2-methylidenepyridine has a molecular weight of 327.14 g/mol, XLogP of 3.94, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-fluorophenyl)-3-iodo-1-methyl-2-methylidenepyridine is sourced from PubChem (CID 157160659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).