2-chloro-6-fluoro-5-(5-methyltetrazol-1-yl)-3-phenylbenzoic acid

C15H10ClFN4O2 — CID 174586357

IUPAC2-chloro-6-fluoro-5-(5-methyltetrazol-1-yl)-3-phenylbenzoic acid
SMILESCc1nnnn1-c1cc(-c2ccccc2)c(Cl)c(C(=O)O)c1F
InChIInChI=1S/C15H10ClFN4O2/c1-8-18-19-20-21(8)11-7-10(9-5-3-2-4-6-9)13(16)12(14(11)17)15(22)23/h2-7H,1H3,(H,22,23)
InChIKeyQWRLIZRADXZFPY-UHFFFAOYSA-N
MW332.72 g/mol
LogP3.13
Rot. Bonds3

About 2-chloro-6-fluoro-5-(5-methyltetrazol-1-yl)-3-phenylbenzoic acid

2-chloro-6-fluoro-5-(5-methyltetrazol-1-yl)-3-phenylbenzoic acid (PubChem CID 174586357) has the molecular formula C15H10ClFN4O2 and a molecular weight of 332.72 g/mol. Its IUPAC name is 2-chloro-6-fluoro-5-(5-methyltetrazol-1-yl)-3-phenylbenzoic acid.

Molecular Properties

Compound Name2-chloro-6-fluoro-5-(5-methyltetrazol-1-yl)-3-phenylbenzoic acid
PubChem CID174586357
Molecular FormulaC15H10ClFN4O2
Molecular Weight332.72 g/mol
Exact Mass332.05
IUPAC Name2-chloro-6-fluoro-5-(5-methyltetrazol-1-yl)-3-phenylbenzoic acid
SMILESCc1nnnn1-c1cc(-c2ccccc2)c(Cl)c(C(=O)O)c1F
InChIInChI=1S/C15H10ClFN4O2/c1-8-18-19-20-21(8)11-7-10(9-5-3-2-4-6-9)13(16)12(14(11)17)15(22)23/h2-7H,1H3,(H,22,23)
InChIKeyQWRLIZRADXZFPY-UHFFFAOYSA-N
XLogP3.13
TPSA80.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.72
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-chloro-5-(5-ethyltetrazol-1-yl)-6-methyl-3-phenylbenzoic acid
CID 174586362
2-chloro-3-(5-methyltetrazol-1-yl)-5-phenylbenzoic acid
CID 174586324
3-(5-methyltetrazol-1-yl)-5-phenylbenzoic acid
CID 151002754
2-chloro-4-methyl-6-phenylbenzoic acid
CID 90976650
4-fluoro-3-(5-methyltetrazol-1-yl)benzenesulfonyl chloride
CID 63104332
2-methyl-5-(5-methyltetrazol-1-yl)benzoic acid
CID 63653713
4-(3-chloro-2-fluorophenyl)-2,6-dimethylbenzoic acid
CID 172876910
2-chloro-6-methyl-4-phenylbenzoic acid
CID 140590152
1-(4-bromo-2-fluorophenyl)-5-methyltetrazole
CID 43617296
2,3-dichloro-4-fluoro-6-phenylbenzamide
CID 118433439
2-chloro-4,5,6-trifluoro-3-methylbenzoic acid
CID 90460489
[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-[2-(5-methyltetrazol-1-yl)phenyl]methanone
CID 56762110

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-fluoro-5-(5-methyltetrazol-1-yl)-3-phenylbenzoic acid?
The IUPAC name of 2-chloro-6-fluoro-5-(5-methyltetrazol-1-yl)-3-phenylbenzoic acid (CID 174586357) is 2-chloro-6-fluoro-5-(5-methyltetrazol-1-yl)-3-phenylbenzoic acid.
What is the SMILES notation for 2-chloro-6-fluoro-5-(5-methyltetrazol-1-yl)-3-phenylbenzoic acid?
The canonical SMILES for 2-chloro-6-fluoro-5-(5-methyltetrazol-1-yl)-3-phenylbenzoic acid is Cc1nnnn1-c1cc(-c2ccccc2)c(Cl)c(C(=O)O)c1F.
What is the InChIKey of 2-chloro-6-fluoro-5-(5-methyltetrazol-1-yl)-3-phenylbenzoic acid?
The InChIKey is QWRLIZRADXZFPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClFN4O2/c1-8-18-19-20-21(8)11-7-10(9-5-3-2-4-6-9)13(16)12(14(11)17)15(22)23/h2-7H,1H3,(H,22,23).
What are the key properties of 2-chloro-6-fluoro-5-(5-methyltetrazol-1-yl)-3-phenylbenzoic acid?
2-chloro-6-fluoro-5-(5-methyltetrazol-1-yl)-3-phenylbenzoic acid has a molecular weight of 332.72 g/mol, XLogP of 3.13, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-fluoro-5-(5-methyltetrazol-1-yl)-3-phenylbenzoic acid is sourced from PubChem (CID 174586357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).