1-azido-2-chloro-4-fluoro-5-methylbenzene

C7H5ClFN3 — CID 130520816

IUPAC1-azido-2-chloro-4-fluoro-5-methylbenzene
SMILESCc1cc(N=[N+]=[N-])c(Cl)cc1F
InChIInChI=1S/C7H5ClFN3/c1-4-2-7(11-12-10)5(8)3-6(4)9/h2-3H,1H3
InChIKeyFKJHYGSDOXKFRR-UHFFFAOYSA-N
MW185.59 g/mol
LogP3.73
Rot. Bonds1

About 1-azido-2-chloro-4-fluoro-5-methylbenzene

1-azido-2-chloro-4-fluoro-5-methylbenzene (PubChem CID 130520816) has the molecular formula C7H5ClFN3 and a molecular weight of 185.59 g/mol. Its IUPAC name is 1-azido-2-chloro-4-fluoro-5-methylbenzene.

Molecular Properties

Compound Name1-azido-2-chloro-4-fluoro-5-methylbenzene
PubChem CID130520816
Molecular FormulaC7H5ClFN3
Molecular Weight185.59 g/mol
Exact Mass185.02
IUPAC Name1-azido-2-chloro-4-fluoro-5-methylbenzene
SMILESCc1cc(N=[N+]=[N-])c(Cl)cc1F
InChIInChI=1S/C7H5ClFN3/c1-4-2-7(11-12-10)5(8)3-6(4)9/h2-3H,1H3
InChIKeyFKJHYGSDOXKFRR-UHFFFAOYSA-N
XLogP3.73
TPSA48.76 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.59
LogP ≤ 53.73
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': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

1-azido-2,4,5-trimethylbenzene
CID 3025812
2-(5-azido-4-chloro-2-fluorophenyl)-3-chloro-5-(trifluoromethyl)pyridine
CID 22466148
1-azido-4-bromo-2,5-dichlorobenzene
CID 150548387
2-azido-4-chloro-5-fluorophenol
CID 151595284
1-azido-5-bromo-4-fluoro-2-methylbenzene
CID 107593406
2-azido-3,7,8-trichlorodibenzo-p-dioxin
CID 70702086
3-(5-azido-4-chloro-2-fluorophenyl)-4-bromo-5-(difluoromethoxy)-1-methylpyrazole
CID 11069323
1-chloro-2,4-difluoro-5-methylbenzene
CID 58691509
6-azido-5-chloro-1,3-benzoxazole
CID 151821768
3-(5-azido-4-chloro-2-fluorophenyl)-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione
CID 18916417
1-azido-2-[2,6-difluoro-4-(trifluoromethyl)phenoxy]-5-fluoro-4-methylbenzene
CID 169326536
1-azido-3-fluoro-2-methylbenzene
CID 56828422

Frequently Asked Questions

What is the IUPAC name of 1-azido-2-chloro-4-fluoro-5-methylbenzene?
The IUPAC name of 1-azido-2-chloro-4-fluoro-5-methylbenzene (CID 130520816) is 1-azido-2-chloro-4-fluoro-5-methylbenzene.
What is the SMILES notation for 1-azido-2-chloro-4-fluoro-5-methylbenzene?
The canonical SMILES for 1-azido-2-chloro-4-fluoro-5-methylbenzene is Cc1cc(N=[N+]=[N-])c(Cl)cc1F.
What is the InChIKey of 1-azido-2-chloro-4-fluoro-5-methylbenzene?
The InChIKey is FKJHYGSDOXKFRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5ClFN3/c1-4-2-7(11-12-10)5(8)3-6(4)9/h2-3H,1H3.
What are the key properties of 1-azido-2-chloro-4-fluoro-5-methylbenzene?
1-azido-2-chloro-4-fluoro-5-methylbenzene has a molecular weight of 185.59 g/mol, XLogP of 3.73, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-azido-2-chloro-4-fluoro-5-methylbenzene is sourced from PubChem (CID 130520816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).