2-[5-[2-(4-bromoanilino)phenyl]tetrazol-2-yl]ethanol

C15H14BrN5O — CID 135371606

IUPAC2-[5-[2-(4-bromoanilino)phenyl]tetrazol-2-yl]ethanol
SMILESOCCn1nnc(-c2ccccc2Nc2ccc(Br)cc2)n1
InChIInChI=1S/C15H14BrN5O/c16-11-5-7-12(8-6-11)17-14-4-2-1-3-13(14)15-18-20-21(19-15)9-10-22/h1-8,17,22H,9-10H2
InChIKeyBYYYTCOXQNWQLO-UHFFFAOYSA-N
MW360.22 g/mol
LogP2.84
Rot. Bonds5

About 2-[5-[2-(4-bromoanilino)phenyl]tetrazol-2-yl]ethanol

2-[5-[2-(4-bromoanilino)phenyl]tetrazol-2-yl]ethanol (PubChem CID 135371606) has the molecular formula C15H14BrN5O and a molecular weight of 360.22 g/mol. Its IUPAC name is 2-[5-[2-(4-bromoanilino)phenyl]tetrazol-2-yl]ethanol.

Molecular Properties

Compound Name2-[5-[2-(4-bromoanilino)phenyl]tetrazol-2-yl]ethanol
PubChem CID135371606
Molecular FormulaC15H14BrN5O
Molecular Weight360.22 g/mol
Exact Mass359.04
IUPAC Name2-[5-[2-(4-bromoanilino)phenyl]tetrazol-2-yl]ethanol
SMILESOCCn1nnc(-c2ccccc2Nc2ccc(Br)cc2)n1
InChIInChI=1S/C15H14BrN5O/c16-11-5-7-12(8-6-11)17-14-4-2-1-3-13(14)15-18-20-21(19-15)9-10-22/h1-8,17,22H,9-10H2
InChIKeyBYYYTCOXQNWQLO-UHFFFAOYSA-N
XLogP2.84
TPSA75.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.22
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[5-[2-(4-bromoanilino)phenyl]tetrazol-2-yl]ethanol?
The IUPAC name of 2-[5-[2-(4-bromoanilino)phenyl]tetrazol-2-yl]ethanol (CID 135371606) is 2-[5-[2-(4-bromoanilino)phenyl]tetrazol-2-yl]ethanol.
What is the SMILES notation for 2-[5-[2-(4-bromoanilino)phenyl]tetrazol-2-yl]ethanol?
The canonical SMILES for 2-[5-[2-(4-bromoanilino)phenyl]tetrazol-2-yl]ethanol is OCCn1nnc(-c2ccccc2Nc2ccc(Br)cc2)n1.
What is the InChIKey of 2-[5-[2-(4-bromoanilino)phenyl]tetrazol-2-yl]ethanol?
The InChIKey is BYYYTCOXQNWQLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrN5O/c16-11-5-7-12(8-6-11)17-14-4-2-1-3-13(14)15-18-20-21(19-15)9-10-22/h1-8,17,22H,9-10H2.
What are the key properties of 2-[5-[2-(4-bromoanilino)phenyl]tetrazol-2-yl]ethanol?
2-[5-[2-(4-bromoanilino)phenyl]tetrazol-2-yl]ethanol has a molecular weight of 360.22 g/mol, XLogP of 2.84, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[2-(4-bromoanilino)phenyl]tetrazol-2-yl]ethanol is sourced from PubChem (CID 135371606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).