(4-fluoro-2-iodophenyl)-(2-propan-2-ylimino-1-pyridinyl)methanone

C15H14FIN2O — CID 43078094

IUPAC(4-fluoro-2-iodophenyl)-(2-propan-2-ylimino-1-pyridinyl)methanone
SMILESCC(C)/N=c1\ccccn1C(=O)c1ccc(F)cc1I
InChIInChI=1S/C15H14FIN2O/c1-10(2)18-14-5-3-4-8-19(14)15(20)12-7-6-11(16)9-13(12)17/h3-10H,1-2H3/b18-14+
InChIKeyOLEIEGPTTJXRFQ-NBVRZTHBSA-N
MW384.19 g/mol
LogP3.23
Rot. Bonds2

About (4-fluoro-2-iodophenyl)-(2-propan-2-ylimino-1-pyridinyl)methanone

(4-fluoro-2-iodophenyl)-(2-propan-2-ylimino-1-pyridinyl)methanone (PubChem CID 43078094) has the molecular formula C15H14FIN2O and a molecular weight of 384.19 g/mol. Its IUPAC name is (4-fluoro-2-iodophenyl)-(2-propan-2-ylimino-1-pyridinyl)methanone.

Molecular Properties

Compound Name(4-fluoro-2-iodophenyl)-(2-propan-2-ylimino-1-pyridinyl)methanone
PubChem CID43078094
Molecular FormulaC15H14FIN2O
Molecular Weight384.19 g/mol
Exact Mass384.01
IUPAC Name(4-fluoro-2-iodophenyl)-(2-propan-2-ylimino-1-pyridinyl)methanone
SMILESCC(C)/N=c1\ccccn1C(=O)c1ccc(F)cc1I
InChIInChI=1S/C15H14FIN2O/c1-10(2)18-14-5-3-4-8-19(14)15(20)12-7-6-11(16)9-13(12)17/h3-10H,1-2H3/b18-14+
InChIKeyOLEIEGPTTJXRFQ-NBVRZTHBSA-N
XLogP3.23
TPSA34.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.19
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2-cyclohexylimino-1-pyridinyl)-(2,4-difluorophenyl)methanone
CID 16626252
(2-ethyl-1,3-thiazol-5-yl)-(2-propan-2-ylimino-1-pyridinyl)methanone
CID 47426199
(4-fluoro-2-iodophenyl)-(3-methylazetidin-1-yl)methanone
CID 172646487
(4-fluoro-2-iodophenyl)-piperidin-1-ylmethanone
CID 103615017
[3-(benzenesulfonylmethyl)phenyl]-(2-propan-2-ylimino-1-pyridinyl)methanone
CID 47046962
[3-(dimethylamino)azetidin-1-yl]-(4-fluoro-2-iodophenyl)methanone
CID 172646725
3-(4-acetyl-5-methylfuran-2-yl)-1-(2-propan-2-ylimino-1-pyridinyl)propan-1-one
CID 24618942
N-(2-amino-2-oxoethyl)-4-fluoro-2-iodo-N-propan-2-ylbenzamide
CID 113222881
(4-fluoro-2-iodophenyl)-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methanone
CID 106314285
4-fluoro-2-iodo-N-(4-methylpentan-2-yl)benzamide
CID 103839185
(4-fluoro-2-iodophenyl)-(2-methylazepan-1-yl)methanone
CID 113236236
4-fluoro-2-iodo-N',N'-dimethylbenzohydrazide
CID 103626497

Frequently Asked Questions

What is the IUPAC name of (4-fluoro-2-iodophenyl)-(2-propan-2-ylimino-1-pyridinyl)methanone?
The IUPAC name of (4-fluoro-2-iodophenyl)-(2-propan-2-ylimino-1-pyridinyl)methanone (CID 43078094) is (4-fluoro-2-iodophenyl)-(2-propan-2-ylimino-1-pyridinyl)methanone.
What is the SMILES notation for (4-fluoro-2-iodophenyl)-(2-propan-2-ylimino-1-pyridinyl)methanone?
The canonical SMILES for (4-fluoro-2-iodophenyl)-(2-propan-2-ylimino-1-pyridinyl)methanone is CC(C)/N=c1\ccccn1C(=O)c1ccc(F)cc1I.
What is the InChIKey of (4-fluoro-2-iodophenyl)-(2-propan-2-ylimino-1-pyridinyl)methanone?
The InChIKey is OLEIEGPTTJXRFQ-NBVRZTHBSA-N. The full InChI is InChI=1S/C15H14FIN2O/c1-10(2)18-14-5-3-4-8-19(14)15(20)12-7-6-11(16)9-13(12)17/h3-10H,1-2H3/b18-14+.
What are the key properties of (4-fluoro-2-iodophenyl)-(2-propan-2-ylimino-1-pyridinyl)methanone?
(4-fluoro-2-iodophenyl)-(2-propan-2-ylimino-1-pyridinyl)methanone has a molecular weight of 384.19 g/mol, XLogP of 3.23, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluoro-2-iodophenyl)-(2-propan-2-ylimino-1-pyridinyl)methanone is sourced from PubChem (CID 43078094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).