4-bromo-6-fluoro-2-iodopyrido[3,2-e]thiazine

C7H3BrFIN2S — CID 134526901

IUPAC4-bromo-6-fluoro-2-iodopyrido[3,2-e]thiazine
SMILESFc1cnc2c(c1)C(Br)=CN(I)S2
InChIInChI=1S/C7H3BrFIN2S/c8-6-3-12(10)13-7-5(6)1-4(9)2-11-7/h1-3H
InChIKeyKPFGETXVPYPWFG-UHFFFAOYSA-N
MW372.99 g/mol
LogP3.59
Rot. Bonds

About 4-bromo-6-fluoro-2-iodopyrido[3,2-e]thiazine

4-bromo-6-fluoro-2-iodopyrido[3,2-e]thiazine (PubChem CID 134526901) has the molecular formula C7H3BrFIN2S and a molecular weight of 372.99 g/mol. Its IUPAC name is 4-bromo-6-fluoro-2-iodopyrido[3,2-e]thiazine.

Molecular Properties

Compound Name4-bromo-6-fluoro-2-iodopyrido[3,2-e]thiazine
PubChem CID134526901
Molecular FormulaC7H3BrFIN2S
Molecular Weight372.99 g/mol
Exact Mass371.82
IUPAC Name4-bromo-6-fluoro-2-iodopyrido[3,2-e]thiazine
SMILESFc1cnc2c(c1)C(Br)=CN(I)S2
InChIInChI=1S/C7H3BrFIN2S/c8-6-3-12(10)13-7-5(6)1-4(9)2-11-7/h1-3H
InChIKeyKPFGETXVPYPWFG-UHFFFAOYSA-N
XLogP3.59
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.99
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-fluoro-5-iodo-7H-pyrrolo[3,4-b]pyridine
CID 58065607
2-bromo-5-fluoropyridine-3-thiol
CID 119001198
5-fluoro-2,3-bis(2,3,6-trichlorophenyl)pyridine
CID 134637089
7-bromo-3,6-difluoroquinoline
CID 162381108
3-bromo-6-fluoro-1-methylpyrrolo[3,2-b]pyridine
CID 135395861
3-bromo-2-(1,1-difluoroethyl)-5-fluoropyridine
CID 155463702
5-fluoro-3-iodothieno[2,3-b]pyridine
CID 21062217
2-(4-bromo-3-fluorophenoxy)-3,5-difluoropyridine
CID 112675508
5-fluoro-2,3-bis(2,4,5-trichlorophenyl)pyridine
CID 133088609
1-(2-bromo-5-fluoro-3-pyridinyl)ethanamine
CID 133059607
3-bromo-5-fluoropyridine-2-carbonyl chloride
CID 155453576
(1S)-1-(3-bromo-5-fluoro-2-pyridinyl)ethanamine
CID 122237447

Frequently Asked Questions

What is the IUPAC name of 4-bromo-6-fluoro-2-iodopyrido[3,2-e]thiazine?
The IUPAC name of 4-bromo-6-fluoro-2-iodopyrido[3,2-e]thiazine (CID 134526901) is 4-bromo-6-fluoro-2-iodopyrido[3,2-e]thiazine.
What is the SMILES notation for 4-bromo-6-fluoro-2-iodopyrido[3,2-e]thiazine?
The canonical SMILES for 4-bromo-6-fluoro-2-iodopyrido[3,2-e]thiazine is Fc1cnc2c(c1)C(Br)=CN(I)S2.
What is the InChIKey of 4-bromo-6-fluoro-2-iodopyrido[3,2-e]thiazine?
The InChIKey is KPFGETXVPYPWFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3BrFIN2S/c8-6-3-12(10)13-7-5(6)1-4(9)2-11-7/h1-3H.
What are the key properties of 4-bromo-6-fluoro-2-iodopyrido[3,2-e]thiazine?
4-bromo-6-fluoro-2-iodopyrido[3,2-e]thiazine has a molecular weight of 372.99 g/mol, XLogP of 3.59, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-6-fluoro-2-iodopyrido[3,2-e]thiazine is sourced from PubChem (CID 134526901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).