2-[1-(2-chloro-5-fluorophenyl)triazol-4-yl]acetic acid

C10H7ClFN3O2 — CID 107528876

IUPAC2-[1-(2-chloro-5-fluorophenyl)triazol-4-yl]acetic acid
SMILESO=C(O)Cc1cn(-c2cc(F)ccc2Cl)nn1
InChIInChI=1S/C10H7ClFN3O2/c11-8-2-1-6(12)3-9(8)15-5-7(13-14-15)4-10(16)17/h1-3,5H,4H2,(H,16,17)
InChIKeyIAOLINDXBLNBAJ-UHFFFAOYSA-N
MW255.64 g/mol
LogP1.69
Rot. Bonds3

About 2-[1-(2-chloro-5-fluorophenyl)triazol-4-yl]acetic acid

2-[1-(2-chloro-5-fluorophenyl)triazol-4-yl]acetic acid (PubChem CID 107528876) has the molecular formula C10H7ClFN3O2 and a molecular weight of 255.64 g/mol. Its IUPAC name is 2-[1-(2-chloro-5-fluorophenyl)triazol-4-yl]acetic acid.

Molecular Properties

Compound Name2-[1-(2-chloro-5-fluorophenyl)triazol-4-yl]acetic acid
PubChem CID107528876
Molecular FormulaC10H7ClFN3O2
Molecular Weight255.64 g/mol
Exact Mass255.02
IUPAC Name2-[1-(2-chloro-5-fluorophenyl)triazol-4-yl]acetic acid
SMILESO=C(O)Cc1cn(-c2cc(F)ccc2Cl)nn1
InChIInChI=1S/C10H7ClFN3O2/c11-8-2-1-6(12)3-9(8)15-5-7(13-14-15)4-10(16)17/h1-3,5H,4H2,(H,16,17)
InChIKeyIAOLINDXBLNBAJ-UHFFFAOYSA-N
XLogP1.69
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.64
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-(2-bromo-5-fluorophenyl)triazol-4-yl]acetic acid
CID 107626227
2-[1-(2-chloro-5-methoxyphenyl)triazol-4-yl]acetic acid
CID 107461164
2-[1-(4-fluorophenyl)triazol-4-yl]acetic acid
CID 83642133
1-[1-(2-chloro-5-fluorophenyl)triazol-4-yl]-N-methylmethanamine
CID 107531115
N-[[1-(2-chloro-5-fluorophenyl)triazol-4-yl]methyl]cyclopropanamine
CID 107531699
3-[1-(2,5-dichlorophenyl)triazol-4-yl]propanoic acid
CID 82369431
2-[1-(4-bromo-2-fluorophenyl)triazol-4-yl]acetic acid
CID 107461136
2-[1-(2,3,4,5,6-pentafluorophenyl)triazol-4-yl]acetic acid
CID 107461204
5-[1-(2,5-dichlorophenyl)triazol-4-yl]pentanoic acid
CID 104538584
5-[1-(2-bromo-5-fluorophenyl)triazol-4-yl]pentanoic acid
CID 107626218
2-[1-(3-bromo-4-fluorophenyl)triazol-4-yl]acetic acid
CID 107461214
1-[[1-(2-chloro-4-fluorophenyl)triazol-4-yl]methyl]-3-methylpyrrolidine-3-carboxylic acid
CID 122046386

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-chloro-5-fluorophenyl)triazol-4-yl]acetic acid?
The IUPAC name of 2-[1-(2-chloro-5-fluorophenyl)triazol-4-yl]acetic acid (CID 107528876) is 2-[1-(2-chloro-5-fluorophenyl)triazol-4-yl]acetic acid.
What is the SMILES notation for 2-[1-(2-chloro-5-fluorophenyl)triazol-4-yl]acetic acid?
The canonical SMILES for 2-[1-(2-chloro-5-fluorophenyl)triazol-4-yl]acetic acid is O=C(O)Cc1cn(-c2cc(F)ccc2Cl)nn1.
What is the InChIKey of 2-[1-(2-chloro-5-fluorophenyl)triazol-4-yl]acetic acid?
The InChIKey is IAOLINDXBLNBAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7ClFN3O2/c11-8-2-1-6(12)3-9(8)15-5-7(13-14-15)4-10(16)17/h1-3,5H,4H2,(H,16,17).
What are the key properties of 2-[1-(2-chloro-5-fluorophenyl)triazol-4-yl]acetic acid?
2-[1-(2-chloro-5-fluorophenyl)triazol-4-yl]acetic acid has a molecular weight of 255.64 g/mol, XLogP of 1.69, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-chloro-5-fluorophenyl)triazol-4-yl]acetic acid is sourced from PubChem (CID 107528876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).