2-[1-(5-chloro-2-methylphenyl)tetrazol-5-yl]cyclopropane-1-carboxylic acid

C12H11ClN4O2 — CID 82366590

IUPAC2-[1-(5-chloro-2-methylphenyl)tetrazol-5-yl]cyclopropane-1-carboxylic acid
SMILESCc1ccc(Cl)cc1-n1nnnc1C1CC1C(=O)O
InChIInChI=1S/C12H11ClN4O2/c1-6-2-3-7(13)4-10(6)17-11(14-15-16-17)8-5-9(8)12(18)19/h2-4,8-9H,5H2,1H3,(H,18,19)
InChIKeyORNWHLQJOZOVAI-UHFFFAOYSA-N
MW278.70 g/mol
LogP1.81
Rot. Bonds3

About 2-[1-(5-chloro-2-methylphenyl)tetrazol-5-yl]cyclopropane-1-carboxylic acid

2-[1-(5-chloro-2-methylphenyl)tetrazol-5-yl]cyclopropane-1-carboxylic acid (PubChem CID 82366590) has the molecular formula C12H11ClN4O2 and a molecular weight of 278.70 g/mol. Its IUPAC name is 2-[1-(5-chloro-2-methylphenyl)tetrazol-5-yl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name2-[1-(5-chloro-2-methylphenyl)tetrazol-5-yl]cyclopropane-1-carboxylic acid
PubChem CID82366590
Molecular FormulaC12H11ClN4O2
Molecular Weight278.70 g/mol
Exact Mass278.06
IUPAC Name2-[1-(5-chloro-2-methylphenyl)tetrazol-5-yl]cyclopropane-1-carboxylic acid
SMILESCc1ccc(Cl)cc1-n1nnnc1C1CC1C(=O)O
InChIInChI=1S/C12H11ClN4O2/c1-6-2-3-7(13)4-10(6)17-11(14-15-16-17)8-5-9(8)12(18)19/h2-4,8-9H,5H2,1H3,(H,18,19)
InChIKeyORNWHLQJOZOVAI-UHFFFAOYSA-N
XLogP1.81
TPSA80.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.70
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[1-(3-chlorophenyl)tetrazol-5-yl]cyclopropane-1-carboxylic acid
CID 82366648
2-[1-(2-chloro-4,6-dimethylphenyl)tetrazol-5-yl]cyclopropane-1-carboxylic acid
CID 82366580
2-[1-[2-(trifluoromethyl)phenyl]tetrazol-5-yl]cyclopropane-1-carboxylic acid
CID 82366630
2-[1-(4-carbamoylphenyl)tetrazol-5-yl]cyclopropane-1-carboxylic acid
CID 82366576
2-[1-(2-propoxyphenyl)tetrazol-5-yl]cyclopropane-1-carboxylic acid
CID 82366637
2-[1-(4-ethoxyphenyl)tetrazol-5-yl]cyclopropane-1-carboxylic acid
CID 82366586
5-chloro-2-(5-cyclopentyltetrazol-1-yl)benzoic acid
CID 62075212
1-(5-chloro-2-methylphenyl)-5-[phenyl(pyrrolidin-1-yl)methyl]tetrazole
CID 171977006
trans-(1S,2S)-2-(5-chloro-2-fluorophenyl)cyclopropane-1-carboxylic acid
CID 96658212
(1R)-2-(4-chlorophenyl)cyclopropane-1-carboxylic acid
CID 70153903
trans-(1R,2R)-2-(4-chlorophenyl)cyclopropane-1-carboxylic acid
CID 6993920
1-(5-chloro-2-methylphenyl)-N-cyclopentyl-5-methyltriazole-4-carboxamide
CID 44782567

Frequently Asked Questions

What is the IUPAC name of 2-[1-(5-chloro-2-methylphenyl)tetrazol-5-yl]cyclopropane-1-carboxylic acid?
The IUPAC name of 2-[1-(5-chloro-2-methylphenyl)tetrazol-5-yl]cyclopropane-1-carboxylic acid (CID 82366590) is 2-[1-(5-chloro-2-methylphenyl)tetrazol-5-yl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 2-[1-(5-chloro-2-methylphenyl)tetrazol-5-yl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 2-[1-(5-chloro-2-methylphenyl)tetrazol-5-yl]cyclopropane-1-carboxylic acid is Cc1ccc(Cl)cc1-n1nnnc1C1CC1C(=O)O.
What is the InChIKey of 2-[1-(5-chloro-2-methylphenyl)tetrazol-5-yl]cyclopropane-1-carboxylic acid?
The InChIKey is ORNWHLQJOZOVAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN4O2/c1-6-2-3-7(13)4-10(6)17-11(14-15-16-17)8-5-9(8)12(18)19/h2-4,8-9H,5H2,1H3,(H,18,19).
What are the key properties of 2-[1-(5-chloro-2-methylphenyl)tetrazol-5-yl]cyclopropane-1-carboxylic acid?
2-[1-(5-chloro-2-methylphenyl)tetrazol-5-yl]cyclopropane-1-carboxylic acid has a molecular weight of 278.70 g/mol, XLogP of 1.81, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(5-chloro-2-methylphenyl)tetrazol-5-yl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 82366590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).