5-fluoro-2-methoxy-4-(1-methyltetrazol-5-yl)aniline

C9H10FN5O — CID 90104396

IUPAC5-fluoro-2-methoxy-4-(1-methyltetrazol-5-yl)aniline
SMILESCOc1cc(-c2nnnn2C)c(F)cc1N
InChIInChI=1S/C9H10FN5O/c1-15-9(12-13-14-15)5-3-8(16-2)7(11)4-6(5)10/h3-4H,11H2,1-2H3
InChIKeyBEXYMEZRNFGDEW-UHFFFAOYSA-N
MW223.21 g/mol
LogP0.61
Rot. Bonds2

About 5-fluoro-2-methoxy-4-(1-methyltetrazol-5-yl)aniline

5-fluoro-2-methoxy-4-(1-methyltetrazol-5-yl)aniline (PubChem CID 90104396) has the molecular formula C9H10FN5O and a molecular weight of 223.21 g/mol. Its IUPAC name is 5-fluoro-2-methoxy-4-(1-methyltetrazol-5-yl)aniline.

Molecular Properties

Compound Name5-fluoro-2-methoxy-4-(1-methyltetrazol-5-yl)aniline
PubChem CID90104396
Molecular FormulaC9H10FN5O
Molecular Weight223.21 g/mol
Exact Mass223.09
IUPAC Name5-fluoro-2-methoxy-4-(1-methyltetrazol-5-yl)aniline
SMILESCOc1cc(-c2nnnn2C)c(F)cc1N
InChIInChI=1S/C9H10FN5O/c1-15-9(12-13-14-15)5-3-8(16-2)7(11)4-6(5)10/h3-4H,11H2,1-2H3
InChIKeyBEXYMEZRNFGDEW-UHFFFAOYSA-N
XLogP0.61
TPSA78.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.21
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-methoxy-4-(1-methyltetrazol-5-yl)aniline?
The IUPAC name of 5-fluoro-2-methoxy-4-(1-methyltetrazol-5-yl)aniline (CID 90104396) is 5-fluoro-2-methoxy-4-(1-methyltetrazol-5-yl)aniline.
What is the SMILES notation for 5-fluoro-2-methoxy-4-(1-methyltetrazol-5-yl)aniline?
The canonical SMILES for 5-fluoro-2-methoxy-4-(1-methyltetrazol-5-yl)aniline is COc1cc(-c2nnnn2C)c(F)cc1N.
What is the InChIKey of 5-fluoro-2-methoxy-4-(1-methyltetrazol-5-yl)aniline?
The InChIKey is BEXYMEZRNFGDEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10FN5O/c1-15-9(12-13-14-15)5-3-8(16-2)7(11)4-6(5)10/h3-4H,11H2,1-2H3.
What are the key properties of 5-fluoro-2-methoxy-4-(1-methyltetrazol-5-yl)aniline?
5-fluoro-2-methoxy-4-(1-methyltetrazol-5-yl)aniline has a molecular weight of 223.21 g/mol, XLogP of 0.61, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-methoxy-4-(1-methyltetrazol-5-yl)aniline is sourced from PubChem (CID 90104396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).