1-azido-4-fluoro-2-iodo-3-methylbenzene

C7H5FIN3 — CID 169325747

IUPAC1-azido-4-fluoro-2-iodo-3-methylbenzene
SMILESCc1c(F)ccc(N=[N+]=[N-])c1I
InChIInChI=1S/C7H5FIN3/c1-4-5(8)2-3-6(7(4)9)11-12-10/h2-3H,1H3
InChIKeyQNEUMBUVSSEDPP-UHFFFAOYSA-N
MW277.04 g/mol
LogP3.68
Rot. Bonds1

About 1-azido-4-fluoro-2-iodo-3-methylbenzene

1-azido-4-fluoro-2-iodo-3-methylbenzene (PubChem CID 169325747) has the molecular formula C7H5FIN3 and a molecular weight of 277.04 g/mol. Its IUPAC name is 1-azido-4-fluoro-2-iodo-3-methylbenzene.

Molecular Properties

Compound Name1-azido-4-fluoro-2-iodo-3-methylbenzene
PubChem CID169325747
Molecular FormulaC7H5FIN3
Molecular Weight277.04 g/mol
Exact Mass276.95
IUPAC Name1-azido-4-fluoro-2-iodo-3-methylbenzene
SMILESCc1c(F)ccc(N=[N+]=[N-])c1I
InChIInChI=1S/C7H5FIN3/c1-4-5(8)2-3-6(7(4)9)11-12-10/h2-3H,1H3
InChIKeyQNEUMBUVSSEDPP-UHFFFAOYSA-N
XLogP3.68
TPSA48.76 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.04
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

1-azido-3-fluoro-2-methylbenzene
CID 56828422
1-azido-2-iodo-3-methylbenzene
CID 54204853
1,3-diazido-2-methylbenzene
CID 71379514
1-azido-2-fluoro-4-methylsulfonylbenzene
CID 130568437
4-fluoro-N,N,2-triiodo-3-methylaniline
CID 139420095
1-azido-2-chloro-4-fluoro-5-methylbenzene
CID 130520816
1-azido-5-bromo-4-fluoro-2-methylbenzene
CID 107593406
1-azido-2-bromo-5-fluoro-4-iodobenzene
CID 169325318
1-azido-4-ethynyl-2-fluorobenzene
CID 151487083
1-azido-2,3-difluoro-5-methoxy-4-methylbenzene
CID 169326636
(3-azido-4-fluorophenyl) acetate
CID 152536119
2-azido-5-chlorobenzenethiol
CID 150684817

Frequently Asked Questions

What is the IUPAC name of 1-azido-4-fluoro-2-iodo-3-methylbenzene?
The IUPAC name of 1-azido-4-fluoro-2-iodo-3-methylbenzene (CID 169325747) is 1-azido-4-fluoro-2-iodo-3-methylbenzene.
What is the SMILES notation for 1-azido-4-fluoro-2-iodo-3-methylbenzene?
The canonical SMILES for 1-azido-4-fluoro-2-iodo-3-methylbenzene is Cc1c(F)ccc(N=[N+]=[N-])c1I.
What is the InChIKey of 1-azido-4-fluoro-2-iodo-3-methylbenzene?
The InChIKey is QNEUMBUVSSEDPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5FIN3/c1-4-5(8)2-3-6(7(4)9)11-12-10/h2-3H,1H3.
What are the key properties of 1-azido-4-fluoro-2-iodo-3-methylbenzene?
1-azido-4-fluoro-2-iodo-3-methylbenzene has a molecular weight of 277.04 g/mol, XLogP of 3.68, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-azido-4-fluoro-2-iodo-3-methylbenzene is sourced from PubChem (CID 169325747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).