5-(4-chloro-2-fluoro-5-nitrophenyl)-2-cyclopropyltetrazole

C10H7ClFN5O2 — CID 178043560

IUPAC5-(4-chloro-2-fluoro-5-nitrophenyl)-2-cyclopropyltetrazole
SMILESO=[N+]([O-])c1cc(-c2nnn(C3CC3)n2)c(F)cc1Cl
InChIInChI=1S/C10H7ClFN5O2/c11-7-4-8(12)6(3-9(7)17(18)19)10-13-15-16(14-10)5-1-2-5/h3-5H,1-2H2
InChIKeyZPADBROYKXNCHJ-UHFFFAOYSA-N
MW283.65 g/mol
LogP2.38
Rot. Bonds3

About 5-(4-chloro-2-fluoro-5-nitrophenyl)-2-cyclopropyltetrazole

5-(4-chloro-2-fluoro-5-nitrophenyl)-2-cyclopropyltetrazole (PubChem CID 178043560) has the molecular formula C10H7ClFN5O2 and a molecular weight of 283.65 g/mol. Its IUPAC name is 5-(4-chloro-2-fluoro-5-nitrophenyl)-2-cyclopropyltetrazole.

Molecular Properties

Compound Name5-(4-chloro-2-fluoro-5-nitrophenyl)-2-cyclopropyltetrazole
PubChem CID178043560
Molecular FormulaC10H7ClFN5O2
Molecular Weight283.65 g/mol
Exact Mass283.03
IUPAC Name5-(4-chloro-2-fluoro-5-nitrophenyl)-2-cyclopropyltetrazole
SMILESO=[N+]([O-])c1cc(-c2nnn(C3CC3)n2)c(F)cc1Cl
InChIInChI=1S/C10H7ClFN5O2/c11-7-4-8(12)6(3-9(7)17(18)19)10-13-15-16(14-10)5-1-2-5/h3-5H,1-2H2
InChIKeyZPADBROYKXNCHJ-UHFFFAOYSA-N
XLogP2.38
TPSA86.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.65
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(4-chloro-2-fluoro-5-nitrophenyl)-2-cyclopropyltetrazole?
The IUPAC name of 5-(4-chloro-2-fluoro-5-nitrophenyl)-2-cyclopropyltetrazole (CID 178043560) is 5-(4-chloro-2-fluoro-5-nitrophenyl)-2-cyclopropyltetrazole.
What is the SMILES notation for 5-(4-chloro-2-fluoro-5-nitrophenyl)-2-cyclopropyltetrazole?
The canonical SMILES for 5-(4-chloro-2-fluoro-5-nitrophenyl)-2-cyclopropyltetrazole is O=[N+]([O-])c1cc(-c2nnn(C3CC3)n2)c(F)cc1Cl.
What is the InChIKey of 5-(4-chloro-2-fluoro-5-nitrophenyl)-2-cyclopropyltetrazole?
The InChIKey is ZPADBROYKXNCHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7ClFN5O2/c11-7-4-8(12)6(3-9(7)17(18)19)10-13-15-16(14-10)5-1-2-5/h3-5H,1-2H2.
What are the key properties of 5-(4-chloro-2-fluoro-5-nitrophenyl)-2-cyclopropyltetrazole?
5-(4-chloro-2-fluoro-5-nitrophenyl)-2-cyclopropyltetrazole has a molecular weight of 283.65 g/mol, XLogP of 2.38, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chloro-2-fluoro-5-nitrophenyl)-2-cyclopropyltetrazole is sourced from PubChem (CID 178043560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).