5-chloro-3-methyl-2-(tetrazol-1-yl)benzoic acid

C9H7ClN4O2 — CID 151325741

IUPAC5-chloro-3-methyl-2-(tetrazol-1-yl)benzoic acid
SMILESCc1cc(Cl)cc(C(=O)O)c1-n1cnnn1
InChIInChI=1S/C9H7ClN4O2/c1-5-2-6(10)3-7(9(15)16)8(5)14-4-11-12-13-14/h2-4H,1H3,(H,15,16)
InChIKeyOHJVWUZQWDYWBG-UHFFFAOYSA-N
MW238.63 g/mol
LogP1.32
Rot. Bonds2

About 5-chloro-3-methyl-2-(tetrazol-1-yl)benzoic acid

5-chloro-3-methyl-2-(tetrazol-1-yl)benzoic acid (PubChem CID 151325741) has the molecular formula C9H7ClN4O2 and a molecular weight of 238.63 g/mol. Its IUPAC name is 5-chloro-3-methyl-2-(tetrazol-1-yl)benzoic acid.

Molecular Properties

Compound Name5-chloro-3-methyl-2-(tetrazol-1-yl)benzoic acid
PubChem CID151325741
Molecular FormulaC9H7ClN4O2
Molecular Weight238.63 g/mol
Exact Mass238.03
IUPAC Name5-chloro-3-methyl-2-(tetrazol-1-yl)benzoic acid
SMILESCc1cc(Cl)cc(C(=O)O)c1-n1cnnn1
InChIInChI=1S/C9H7ClN4O2/c1-5-2-6(10)3-7(9(15)16)8(5)14-4-11-12-13-14/h2-4H,1H3,(H,15,16)
InChIKeyOHJVWUZQWDYWBG-UHFFFAOYSA-N
XLogP1.32
TPSA80.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.63
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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2-hydroxy-4-(tetrazol-1-yl)benzoic acid
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5-(3-methylphenyl)-2-(tetrazol-1-yl)benzoic acid
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3-(4-methoxy-2-methylphenyl)-5-(tetrazol-1-yl)benzoic acid
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Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-methyl-2-(tetrazol-1-yl)benzoic acid?
The IUPAC name of 5-chloro-3-methyl-2-(tetrazol-1-yl)benzoic acid (CID 151325741) is 5-chloro-3-methyl-2-(tetrazol-1-yl)benzoic acid.
What is the SMILES notation for 5-chloro-3-methyl-2-(tetrazol-1-yl)benzoic acid?
The canonical SMILES for 5-chloro-3-methyl-2-(tetrazol-1-yl)benzoic acid is Cc1cc(Cl)cc(C(=O)O)c1-n1cnnn1.
What is the InChIKey of 5-chloro-3-methyl-2-(tetrazol-1-yl)benzoic acid?
The InChIKey is OHJVWUZQWDYWBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClN4O2/c1-5-2-6(10)3-7(9(15)16)8(5)14-4-11-12-13-14/h2-4H,1H3,(H,15,16).
What are the key properties of 5-chloro-3-methyl-2-(tetrazol-1-yl)benzoic acid?
5-chloro-3-methyl-2-(tetrazol-1-yl)benzoic acid has a molecular weight of 238.63 g/mol, XLogP of 1.32, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-methyl-2-(tetrazol-1-yl)benzoic acid is sourced from PubChem (CID 151325741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).