4-fluoro-2-(1-methyltetrazol-5-yl)benzaldehyde

C9H7FN4O — CID 23014550

IUPAC4-fluoro-2-(1-methyltetrazol-5-yl)benzaldehyde
SMILESCn1nnnc1-c1cc(F)ccc1C=O
InChIInChI=1S/C9H7FN4O/c1-14-9(11-12-13-14)8-4-7(10)3-2-6(8)5-15/h2-5H,1H3
InChIKeyIXVQVPMHIRHGMT-UHFFFAOYSA-N
MW206.18 g/mol
LogP0.83
Rot. Bonds2

About 4-fluoro-2-(1-methyltetrazol-5-yl)benzaldehyde

4-fluoro-2-(1-methyltetrazol-5-yl)benzaldehyde (PubChem CID 23014550) has the molecular formula C9H7FN4O and a molecular weight of 206.18 g/mol. Its IUPAC name is 4-fluoro-2-(1-methyltetrazol-5-yl)benzaldehyde.

Molecular Properties

Compound Name4-fluoro-2-(1-methyltetrazol-5-yl)benzaldehyde
PubChem CID23014550
Molecular FormulaC9H7FN4O
Molecular Weight206.18 g/mol
Exact Mass206.06
IUPAC Name4-fluoro-2-(1-methyltetrazol-5-yl)benzaldehyde
SMILESCn1nnnc1-c1cc(F)ccc1C=O
InChIInChI=1S/C9H7FN4O/c1-14-9(11-12-13-14)8-4-7(10)3-2-6(8)5-15/h2-5H,1H3
InChIKeyIXVQVPMHIRHGMT-UHFFFAOYSA-N
XLogP0.83
TPSA60.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.18
LogP ≤ 50.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-(1-methyltetrazol-5-yl)benzaldehyde?
The IUPAC name of 4-fluoro-2-(1-methyltetrazol-5-yl)benzaldehyde (CID 23014550) is 4-fluoro-2-(1-methyltetrazol-5-yl)benzaldehyde.
What is the SMILES notation for 4-fluoro-2-(1-methyltetrazol-5-yl)benzaldehyde?
The canonical SMILES for 4-fluoro-2-(1-methyltetrazol-5-yl)benzaldehyde is Cn1nnnc1-c1cc(F)ccc1C=O.
What is the InChIKey of 4-fluoro-2-(1-methyltetrazol-5-yl)benzaldehyde?
The InChIKey is IXVQVPMHIRHGMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7FN4O/c1-14-9(11-12-13-14)8-4-7(10)3-2-6(8)5-15/h2-5H,1H3.
What are the key properties of 4-fluoro-2-(1-methyltetrazol-5-yl)benzaldehyde?
4-fluoro-2-(1-methyltetrazol-5-yl)benzaldehyde has a molecular weight of 206.18 g/mol, XLogP of 0.83, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-(1-methyltetrazol-5-yl)benzaldehyde is sourced from PubChem (CID 23014550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).