3-chloro-4-[(2-methyltetrazol-5-yl)methoxy]benzaldehyde

C10H9ClN4O2 — CID 107043154

IUPAC3-chloro-4-[(2-methyltetrazol-5-yl)methoxy]benzaldehyde
SMILESCn1nnc(COc2ccc(C=O)cc2Cl)n1
InChIInChI=1S/C10H9ClN4O2/c1-15-13-10(12-14-15)6-17-9-3-2-7(5-16)4-8(9)11/h2-5H,6H2,1H3
InChIKeyHCTRIKHHRGFOEO-UHFFFAOYSA-N
MW252.66 g/mol
LogP1.25
Rot. Bonds4

About 3-chloro-4-[(2-methyltetrazol-5-yl)methoxy]benzaldehyde

3-chloro-4-[(2-methyltetrazol-5-yl)methoxy]benzaldehyde (PubChem CID 107043154) has the molecular formula C10H9ClN4O2 and a molecular weight of 252.66 g/mol. Its IUPAC name is 3-chloro-4-[(2-methyltetrazol-5-yl)methoxy]benzaldehyde.

Molecular Properties

Compound Name3-chloro-4-[(2-methyltetrazol-5-yl)methoxy]benzaldehyde
PubChem CID107043154
Molecular FormulaC10H9ClN4O2
Molecular Weight252.66 g/mol
Exact Mass252.04
IUPAC Name3-chloro-4-[(2-methyltetrazol-5-yl)methoxy]benzaldehyde
SMILESCn1nnc(COc2ccc(C=O)cc2Cl)n1
InChIInChI=1S/C10H9ClN4O2/c1-15-13-10(12-14-15)6-17-9-3-2-7(5-16)4-8(9)11/h2-5H,6H2,1H3
InChIKeyHCTRIKHHRGFOEO-UHFFFAOYSA-N
XLogP1.25
TPSA69.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.66
LogP ≤ 51.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-bromo-4-[(2-methyltetrazol-5-yl)methoxy]benzaldehyde
CID 107043156
3-chloro-4-[(2-methyltetrazol-5-yl)methoxy]aniline
CID 107040843
3-chloro-4-[(1-methylpyrazol-3-yl)methoxy]benzaldehyde
CID 82865855
3-chloro-4-[(5-chloro-1,3-dimethylpyrazol-4-yl)methoxy]benzaldehyde
CID 115619393
5-[(5-chloro-2-methylphenoxy)methyl]-2-methyltetrazole
CID 107055238
[5-chloro-2-[(2-methyltetrazol-5-yl)methoxy]phenyl]methanamine
CID 107041085
3-chloro-4-[(4-chlorophenyl)methoxy]benzaldehyde
CID 818787
1-[5-chloro-2-[(2-methyltetrazol-5-yl)methoxy]phenyl]ethanol
CID 107043835
1-[5-chloro-2-[(2-methyltetrazol-5-yl)methoxy]phenyl]ethanamine
CID 107041330
3-chloro-4-[(1-ethylimidazol-2-yl)methoxy]benzaldehyde
CID 62406949
3-fluoro-4-[(2-methyltetrazol-5-yl)methoxy]benzenesulfonyl chloride
CID 107041913
3-chloro-4-(2-methylsulfanylethoxy)benzaldehyde
CID 115897536

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-[(2-methyltetrazol-5-yl)methoxy]benzaldehyde?
The IUPAC name of 3-chloro-4-[(2-methyltetrazol-5-yl)methoxy]benzaldehyde (CID 107043154) is 3-chloro-4-[(2-methyltetrazol-5-yl)methoxy]benzaldehyde.
What is the SMILES notation for 3-chloro-4-[(2-methyltetrazol-5-yl)methoxy]benzaldehyde?
The canonical SMILES for 3-chloro-4-[(2-methyltetrazol-5-yl)methoxy]benzaldehyde is Cn1nnc(COc2ccc(C=O)cc2Cl)n1.
What is the InChIKey of 3-chloro-4-[(2-methyltetrazol-5-yl)methoxy]benzaldehyde?
The InChIKey is HCTRIKHHRGFOEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClN4O2/c1-15-13-10(12-14-15)6-17-9-3-2-7(5-16)4-8(9)11/h2-5H,6H2,1H3.
What are the key properties of 3-chloro-4-[(2-methyltetrazol-5-yl)methoxy]benzaldehyde?
3-chloro-4-[(2-methyltetrazol-5-yl)methoxy]benzaldehyde has a molecular weight of 252.66 g/mol, XLogP of 1.25, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-[(2-methyltetrazol-5-yl)methoxy]benzaldehyde is sourced from PubChem (CID 107043154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).