(3-fluoro-5-iodopyrazin-2-yl)-diphenylmethanol

C17H12FIN2O — CID 15369703

IUPAC(3-fluoro-5-iodopyrazin-2-yl)-diphenylmethanol
SMILESOC(c1ccccc1)(c1ccccc1)c1ncc(I)nc1F
InChIInChI=1S/C17H12FIN2O/c18-16-15(20-11-14(19)21-16)17(22,12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-11,22H
InChIKeyQLDKJOCQKHMJOI-UHFFFAOYSA-N
MW406.20 g/mol
LogP3.50
Rot. Bonds3

About (3-fluoro-5-iodopyrazin-2-yl)-diphenylmethanol

(3-fluoro-5-iodopyrazin-2-yl)-diphenylmethanol (PubChem CID 15369703) has the molecular formula C17H12FIN2O and a molecular weight of 406.20 g/mol. Its IUPAC name is (3-fluoro-5-iodopyrazin-2-yl)-diphenylmethanol.

Molecular Properties

Compound Name(3-fluoro-5-iodopyrazin-2-yl)-diphenylmethanol
PubChem CID15369703
Molecular FormulaC17H12FIN2O
Molecular Weight406.20 g/mol
Exact Mass406.00
IUPAC Name(3-fluoro-5-iodopyrazin-2-yl)-diphenylmethanol
SMILESOC(c1ccccc1)(c1ccccc1)c1ncc(I)nc1F
InChIInChI=1S/C17H12FIN2O/c18-16-15(20-11-14(19)21-16)17(22,12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-11,22H
InChIKeyQLDKJOCQKHMJOI-UHFFFAOYSA-N
XLogP3.50
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.20
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

diphenyl-(2,3,5,6-tetrafluoro-4-pyridinyl)methanol
CID 23233940
sodium;hydride;triphenylmethanol
CID 174537383
(2,6-difluorophenyl)-diphenylmethanol
CID 71567877
diphenyl-[4-(trifluoromethyl)phenyl]methanol
CID 569997
(6-chloropyrazin-2-yl)-diphenylmethanol
CID 139402192
diphenyl-(2,3,4-trifluorophenyl)methanol
CID 175484438
(6-methoxy-3-pyridinyl)-diphenylmethanol
CID 141319613
1,4,7,10-tetraoxacyclododecane;bis(triphenylmethanol)
CID 139194210
[4-[1,1-bis[4-[hydroxy(diphenyl)methyl]phenyl]ethyl]phenyl]-diphenylmethanol
CID 153299511
CID 89018089
CID 89018089
[4-[5-[4-[hydroxy(diphenyl)methyl]phenyl]tellurophen-2-yl]phenyl]-diphenylmethanol
CID 132501742
[4-(2-iodoethyl)phenyl]-diphenylmethanol
CID 163674659

Frequently Asked Questions

What is the IUPAC name of (3-fluoro-5-iodopyrazin-2-yl)-diphenylmethanol?
The IUPAC name of (3-fluoro-5-iodopyrazin-2-yl)-diphenylmethanol (CID 15369703) is (3-fluoro-5-iodopyrazin-2-yl)-diphenylmethanol.
What is the SMILES notation for (3-fluoro-5-iodopyrazin-2-yl)-diphenylmethanol?
The canonical SMILES for (3-fluoro-5-iodopyrazin-2-yl)-diphenylmethanol is OC(c1ccccc1)(c1ccccc1)c1ncc(I)nc1F.
What is the InChIKey of (3-fluoro-5-iodopyrazin-2-yl)-diphenylmethanol?
The InChIKey is QLDKJOCQKHMJOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12FIN2O/c18-16-15(20-11-14(19)21-16)17(22,12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-11,22H.
What are the key properties of (3-fluoro-5-iodopyrazin-2-yl)-diphenylmethanol?
(3-fluoro-5-iodopyrazin-2-yl)-diphenylmethanol has a molecular weight of 406.20 g/mol, XLogP of 3.50, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluoro-5-iodopyrazin-2-yl)-diphenylmethanol is sourced from PubChem (CID 15369703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).