2-[1-(3-chlorophenyl)tetrazol-5-yl]cyclopropane-1-carboxylic acid

C11H9ClN4O2 — CID 82366648

IUPAC2-[1-(3-chlorophenyl)tetrazol-5-yl]cyclopropane-1-carboxylic acid
SMILESO=C(O)C1CC1c1nnnn1-c1cccc(Cl)c1
InChIInChI=1S/C11H9ClN4O2/c12-6-2-1-3-7(4-6)16-10(13-14-15-16)8-5-9(8)11(17)18/h1-4,8-9H,5H2,(H,17,18)
InChIKeySIKHTSFQXSLUJD-UHFFFAOYSA-N
MW264.67 g/mol
LogP1.50
Rot. Bonds3

About 2-[1-(3-chlorophenyl)tetrazol-5-yl]cyclopropane-1-carboxylic acid

2-[1-(3-chlorophenyl)tetrazol-5-yl]cyclopropane-1-carboxylic acid (PubChem CID 82366648) has the molecular formula C11H9ClN4O2 and a molecular weight of 264.67 g/mol. Its IUPAC name is 2-[1-(3-chlorophenyl)tetrazol-5-yl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name2-[1-(3-chlorophenyl)tetrazol-5-yl]cyclopropane-1-carboxylic acid
PubChem CID82366648
Molecular FormulaC11H9ClN4O2
Molecular Weight264.67 g/mol
Exact Mass264.04
IUPAC Name2-[1-(3-chlorophenyl)tetrazol-5-yl]cyclopropane-1-carboxylic acid
SMILESO=C(O)C1CC1c1nnnn1-c1cccc(Cl)c1
InChIInChI=1S/C11H9ClN4O2/c12-6-2-1-3-7(4-6)16-10(13-14-15-16)8-5-9(8)11(17)18/h1-4,8-9H,5H2,(H,17,18)
InChIKeySIKHTSFQXSLUJD-UHFFFAOYSA-N
XLogP1.50
TPSA80.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.67
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[1-(5-chloro-2-methylphenyl)tetrazol-5-yl]cyclopropane-1-carboxylic acid
CID 82366590
2-[1-(4-carbamoylphenyl)tetrazol-5-yl]cyclopropane-1-carboxylic acid
CID 82366576
2-[1-(2-chloro-4,6-dimethylphenyl)tetrazol-5-yl]cyclopropane-1-carboxylic acid
CID 82366580
2-[1-(4-ethoxyphenyl)tetrazol-5-yl]cyclopropane-1-carboxylic acid
CID 82366586
2-(3-chlorophenyl)cyclopropane-1-carboxylic acid
CID 23423018
2-[1-[2-(trifluoromethyl)phenyl]tetrazol-5-yl]cyclopropane-1-carboxylic acid
CID 82366630
2-[1-(3-chlorophenyl)tetrazol-5-yl]sulfanylacetic acid
CID 1132797
1-(3-chlorophenyl)-5-phenyltetrazole
CID 854387
2-[1-(2-propoxyphenyl)tetrazol-5-yl]cyclopropane-1-carboxylic acid
CID 82366637
2-[1-(3-chlorophenyl)tetrazol-5-yl]sulfanyl-N-[(1S,2R)-2-methylcyclohexyl]acetamide
CID 8858666
2-[1-(3-chlorophenyl)tetrazol-5-yl]sulfanylethanol
CID 17437726
2-(1-phenyltetrazol-5-yl)sulfanylcyclobutane-1-carboxylic acid
CID 80996667

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-chlorophenyl)tetrazol-5-yl]cyclopropane-1-carboxylic acid?
The IUPAC name of 2-[1-(3-chlorophenyl)tetrazol-5-yl]cyclopropane-1-carboxylic acid (CID 82366648) is 2-[1-(3-chlorophenyl)tetrazol-5-yl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 2-[1-(3-chlorophenyl)tetrazol-5-yl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 2-[1-(3-chlorophenyl)tetrazol-5-yl]cyclopropane-1-carboxylic acid is O=C(O)C1CC1c1nnnn1-c1cccc(Cl)c1.
What is the InChIKey of 2-[1-(3-chlorophenyl)tetrazol-5-yl]cyclopropane-1-carboxylic acid?
The InChIKey is SIKHTSFQXSLUJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClN4O2/c12-6-2-1-3-7(4-6)16-10(13-14-15-16)8-5-9(8)11(17)18/h1-4,8-9H,5H2,(H,17,18).
What are the key properties of 2-[1-(3-chlorophenyl)tetrazol-5-yl]cyclopropane-1-carboxylic acid?
2-[1-(3-chlorophenyl)tetrazol-5-yl]cyclopropane-1-carboxylic acid has a molecular weight of 264.67 g/mol, XLogP of 1.50, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-chlorophenyl)tetrazol-5-yl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 82366648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).