2-[2-(5-chloro-2-methoxyphenyl)tetrazol-5-yl]acetic acid

C10H9ClN4O3 — CID 82305214

IUPAC2-[2-(5-chloro-2-methoxyphenyl)tetrazol-5-yl]acetic acid
SMILESCOc1ccc(Cl)cc1-n1nnc(CC(=O)O)n1
InChIInChI=1S/C10H9ClN4O3/c1-18-8-3-2-6(11)4-7(8)15-13-9(12-14-15)5-10(16)17/h2-4H,5H2,1H3,(H,16,17)
InChIKeyMECOVJDWLXVPEF-UHFFFAOYSA-N
MW268.66 g/mol
LogP0.95
Rot. Bonds4

About 2-[2-(5-chloro-2-methoxyphenyl)tetrazol-5-yl]acetic acid

2-[2-(5-chloro-2-methoxyphenyl)tetrazol-5-yl]acetic acid (PubChem CID 82305214) has the molecular formula C10H9ClN4O3 and a molecular weight of 268.66 g/mol. Its IUPAC name is 2-[2-(5-chloro-2-methoxyphenyl)tetrazol-5-yl]acetic acid.

Molecular Properties

Compound Name2-[2-(5-chloro-2-methoxyphenyl)tetrazol-5-yl]acetic acid
PubChem CID82305214
Molecular FormulaC10H9ClN4O3
Molecular Weight268.66 g/mol
Exact Mass268.04
IUPAC Name2-[2-(5-chloro-2-methoxyphenyl)tetrazol-5-yl]acetic acid
SMILESCOc1ccc(Cl)cc1-n1nnc(CC(=O)O)n1
InChIInChI=1S/C10H9ClN4O3/c1-18-8-3-2-6(11)4-7(8)15-13-9(12-14-15)5-10(16)17/h2-4H,5H2,1H3,(H,16,17)
InChIKeyMECOVJDWLXVPEF-UHFFFAOYSA-N
XLogP0.95
TPSA90.13 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.66
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[1-(5-chloro-2-methoxyphenyl)-6-methyl-4-oxo-3-pyridinyl]acetic acid
CID 82420521
1-(4-chloro-2-methoxyphenyl)-2-(2-methyltetrazol-5-yl)ethanone
CID 107047688
3-acetyl-1-(5-chloro-2-methoxyphenyl)-6-methylpyridazin-4-one
CID 82420543
2-(7-chloro-3-methoxynaphthalen-2-yl)acetic acid
CID 117380053
1-[(5-chloro-2-methoxyphenyl)methyl]triazole-4-carboxylic acid
CID 62059281
1-(5-chloro-2-methoxyphenyl)-6-methyl-4-oxopyridazine-3-carbothioamide
CID 82420534
3-amino-4-(5-chloro-2-methoxyphenyl)butanoic acid
CID 82478281
2-[4-[2-[2-(benzotriazol-2-yl)-4-chlorophenoxy]ethoxy]-2-propan-2-ylphenyl]acetic acid
CID 11662712
2-[1-(7-chloroquinazolin-4-yl)-5-methoxy-2-methylindol-4-yl]acetic acid
CID 21436069
(5-chloro-2-methoxyphenyl) methyl carbonate
CID 170342081
2-[3-amino-4-[3-[2-(benzotriazol-2-yl)-4-chlorophenoxy]propoxy]phenyl]acetic acid
CID 89135065
3-(5-chloro-2-methoxyphenyl)furo[3,4-d]triazole-4,6-dione
CID 82369550

Frequently Asked Questions

What is the IUPAC name of 2-[2-(5-chloro-2-methoxyphenyl)tetrazol-5-yl]acetic acid?
The IUPAC name of 2-[2-(5-chloro-2-methoxyphenyl)tetrazol-5-yl]acetic acid (CID 82305214) is 2-[2-(5-chloro-2-methoxyphenyl)tetrazol-5-yl]acetic acid.
What is the SMILES notation for 2-[2-(5-chloro-2-methoxyphenyl)tetrazol-5-yl]acetic acid?
The canonical SMILES for 2-[2-(5-chloro-2-methoxyphenyl)tetrazol-5-yl]acetic acid is COc1ccc(Cl)cc1-n1nnc(CC(=O)O)n1.
What is the InChIKey of 2-[2-(5-chloro-2-methoxyphenyl)tetrazol-5-yl]acetic acid?
The InChIKey is MECOVJDWLXVPEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClN4O3/c1-18-8-3-2-6(11)4-7(8)15-13-9(12-14-15)5-10(16)17/h2-4H,5H2,1H3,(H,16,17).
What are the key properties of 2-[2-(5-chloro-2-methoxyphenyl)tetrazol-5-yl]acetic acid?
2-[2-(5-chloro-2-methoxyphenyl)tetrazol-5-yl]acetic acid has a molecular weight of 268.66 g/mol, XLogP of 0.95, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(5-chloro-2-methoxyphenyl)tetrazol-5-yl]acetic acid is sourced from PubChem (CID 82305214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).