2-[5-[5-(3-chlorophenyl)furan-2-yl]tetrazol-1-yl]acetic acid

C13H9ClN4O3 — CID 3022229

IUPAC2-[5-[5-(3-chlorophenyl)furan-2-yl]tetrazol-1-yl]acetic acid
SMILESO=C(O)Cn1nnnc1-c1ccc(-c2cccc(Cl)c2)o1
InChIInChI=1S/C13H9ClN4O3/c14-9-3-1-2-8(6-9)10-4-5-11(21-10)13-15-16-17-18(13)7-12(19)20/h1-6H,7H2,(H,19,20)
InChIKeyHDBNJZWLHDVDGI-UHFFFAOYSA-N
MW304.69 g/mol
LogP2.34
Rot. Bonds4

About 2-[5-[5-(3-chlorophenyl)furan-2-yl]tetrazol-1-yl]acetic acid

2-[5-[5-(3-chlorophenyl)furan-2-yl]tetrazol-1-yl]acetic acid (PubChem CID 3022229) has the molecular formula C13H9ClN4O3 and a molecular weight of 304.69 g/mol. Its IUPAC name is 2-[5-[5-(3-chlorophenyl)furan-2-yl]tetrazol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[5-[5-(3-chlorophenyl)furan-2-yl]tetrazol-1-yl]acetic acid
PubChem CID3022229
Molecular FormulaC13H9ClN4O3
Molecular Weight304.69 g/mol
Exact Mass304.04
IUPAC Name2-[5-[5-(3-chlorophenyl)furan-2-yl]tetrazol-1-yl]acetic acid
SMILESO=C(O)Cn1nnnc1-c1ccc(-c2cccc(Cl)c2)o1
InChIInChI=1S/C13H9ClN4O3/c14-9-3-1-2-8(6-9)10-4-5-11(21-10)13-15-16-17-18(13)7-12(19)20/h1-6H,7H2,(H,19,20)
InChIKeyHDBNJZWLHDVDGI-UHFFFAOYSA-N
XLogP2.34
TPSA94.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.69
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[5-[5-(3-chlorophenyl)furan-2-yl]tetrazol-1-yl]acetic acid?
The IUPAC name of 2-[5-[5-(3-chlorophenyl)furan-2-yl]tetrazol-1-yl]acetic acid (CID 3022229) is 2-[5-[5-(3-chlorophenyl)furan-2-yl]tetrazol-1-yl]acetic acid.
What is the SMILES notation for 2-[5-[5-(3-chlorophenyl)furan-2-yl]tetrazol-1-yl]acetic acid?
The canonical SMILES for 2-[5-[5-(3-chlorophenyl)furan-2-yl]tetrazol-1-yl]acetic acid is O=C(O)Cn1nnnc1-c1ccc(-c2cccc(Cl)c2)o1.
What is the InChIKey of 2-[5-[5-(3-chlorophenyl)furan-2-yl]tetrazol-1-yl]acetic acid?
The InChIKey is HDBNJZWLHDVDGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClN4O3/c14-9-3-1-2-8(6-9)10-4-5-11(21-10)13-15-16-17-18(13)7-12(19)20/h1-6H,7H2,(H,19,20).
What are the key properties of 2-[5-[5-(3-chlorophenyl)furan-2-yl]tetrazol-1-yl]acetic acid?
2-[5-[5-(3-chlorophenyl)furan-2-yl]tetrazol-1-yl]acetic acid has a molecular weight of 304.69 g/mol, XLogP of 2.34, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[5-(3-chlorophenyl)furan-2-yl]tetrazol-1-yl]acetic acid is sourced from PubChem (CID 3022229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).