4-[5-(4-bromo-2-fluorophenyl)tetrazol-1-yl]butanoic acid

C11H10BrFN4O2 — CID 66045097

IUPAC4-[5-(4-bromo-2-fluorophenyl)tetrazol-1-yl]butanoic acid
SMILESO=C(O)CCCn1nnnc1-c1ccc(Br)cc1F
InChIInChI=1S/C11H10BrFN4O2/c12-7-3-4-8(9(13)6-7)11-14-15-16-17(11)5-1-2-10(18)19/h3-4,6H,1-2,5H2,(H,18,19)
InChIKeyLGHTYMJMUGTCSQ-UHFFFAOYSA-N
MW329.13 g/mol
LogP2.11
Rot. Bonds5

About 4-[5-(4-bromo-2-fluorophenyl)tetrazol-1-yl]butanoic acid

4-[5-(4-bromo-2-fluorophenyl)tetrazol-1-yl]butanoic acid (PubChem CID 66045097) has the molecular formula C11H10BrFN4O2 and a molecular weight of 329.13 g/mol. Its IUPAC name is 4-[5-(4-bromo-2-fluorophenyl)tetrazol-1-yl]butanoic acid.

Molecular Properties

Compound Name4-[5-(4-bromo-2-fluorophenyl)tetrazol-1-yl]butanoic acid
PubChem CID66045097
Molecular FormulaC11H10BrFN4O2
Molecular Weight329.13 g/mol
Exact Mass328.00
IUPAC Name4-[5-(4-bromo-2-fluorophenyl)tetrazol-1-yl]butanoic acid
SMILESO=C(O)CCCn1nnnc1-c1ccc(Br)cc1F
InChIInChI=1S/C11H10BrFN4O2/c12-7-3-4-8(9(13)6-7)11-14-15-16-17(11)5-1-2-10(18)19/h3-4,6H,1-2,5H2,(H,18,19)
InChIKeyLGHTYMJMUGTCSQ-UHFFFAOYSA-N
XLogP2.11
TPSA80.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.13
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[5-(4-fluoro-2-methylphenyl)tetrazol-1-yl]butanoic acid
CID 113400421
4-[5-(3-bromo-4-fluorophenyl)tetrazol-1-yl]butanoic acid
CID 114020246
4-[5-(3,5-dibromophenyl)tetrazol-1-yl]butanoic acid
CID 114023073
4-[5-(2,4,6-trifluorophenyl)tetrazol-1-yl]butanoic acid
CID 66046763
4-[5-(2-bromo-5-methoxyphenyl)tetrazol-1-yl]butanoic acid
CID 66046771
4-[5-(2,5-dimethylfuran-3-yl)tetrazol-1-yl]butanoic acid
CID 66046045
4-[5-(3-iodophenyl)tetrazol-1-yl]butanoic acid
CID 66043883
4-[5-(4-bromo-2-methylphenyl)tetrazol-1-yl]-2-methylbutanoic acid
CID 80541554
6-[5-(4-methylphenyl)tetrazol-1-yl]hexanoic acid
CID 82226289
4-[5-(5-methyl-3-pyridinyl)tetrazol-1-yl]butanoic acid
CID 66044137
4-[5-(4-ethylphenyl)tetrazol-1-yl]butanoic acid
CID 66044129
4-[5-[(2-fluorophenyl)methyl]tetrazol-1-yl]butanoic acid
CID 66047470

Frequently Asked Questions

What is the IUPAC name of 4-[5-(4-bromo-2-fluorophenyl)tetrazol-1-yl]butanoic acid?
The IUPAC name of 4-[5-(4-bromo-2-fluorophenyl)tetrazol-1-yl]butanoic acid (CID 66045097) is 4-[5-(4-bromo-2-fluorophenyl)tetrazol-1-yl]butanoic acid.
What is the SMILES notation for 4-[5-(4-bromo-2-fluorophenyl)tetrazol-1-yl]butanoic acid?
The canonical SMILES for 4-[5-(4-bromo-2-fluorophenyl)tetrazol-1-yl]butanoic acid is O=C(O)CCCn1nnnc1-c1ccc(Br)cc1F.
What is the InChIKey of 4-[5-(4-bromo-2-fluorophenyl)tetrazol-1-yl]butanoic acid?
The InChIKey is LGHTYMJMUGTCSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrFN4O2/c12-7-3-4-8(9(13)6-7)11-14-15-16-17(11)5-1-2-10(18)19/h3-4,6H,1-2,5H2,(H,18,19).
What are the key properties of 4-[5-(4-bromo-2-fluorophenyl)tetrazol-1-yl]butanoic acid?
4-[5-(4-bromo-2-fluorophenyl)tetrazol-1-yl]butanoic acid has a molecular weight of 329.13 g/mol, XLogP of 2.11, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(4-bromo-2-fluorophenyl)tetrazol-1-yl]butanoic acid is sourced from PubChem (CID 66045097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).