5-(3-chloro-5-fluoro-2-hydroxyphenyl)-2H-triazole-4-carboxamide

C9H6ClFN4O2 — CID 169402286

IUPAC5-(3-chloro-5-fluoro-2-hydroxyphenyl)-2H-triazole-4-carboxamide
SMILESNC(=O)c1n[nH]nc1-c1cc(F)cc(Cl)c1O
InChIInChI=1S/C9H6ClFN4O2/c10-5-2-3(11)1-4(8(5)16)6-7(9(12)17)14-15-13-6/h1-2,16H,(H2,12,17)(H,13,14,15)
InChIKeySRRCFKRAMQHXTF-UHFFFAOYSA-N
MW256.62 g/mol
LogP1.07
Rot. Bonds2

About 5-(3-chloro-5-fluoro-2-hydroxyphenyl)-2H-triazole-4-carboxamide

5-(3-chloro-5-fluoro-2-hydroxyphenyl)-2H-triazole-4-carboxamide (PubChem CID 169402286) has the molecular formula C9H6ClFN4O2 and a molecular weight of 256.62 g/mol. Its IUPAC name is 5-(3-chloro-5-fluoro-2-hydroxyphenyl)-2H-triazole-4-carboxamide.

Molecular Properties

Compound Name5-(3-chloro-5-fluoro-2-hydroxyphenyl)-2H-triazole-4-carboxamide
PubChem CID169402286
Molecular FormulaC9H6ClFN4O2
Molecular Weight256.62 g/mol
Exact Mass256.02
IUPAC Name5-(3-chloro-5-fluoro-2-hydroxyphenyl)-2H-triazole-4-carboxamide
SMILESNC(=O)c1n[nH]nc1-c1cc(F)cc(Cl)c1O
InChIInChI=1S/C9H6ClFN4O2/c10-5-2-3(11)1-4(8(5)16)6-7(9(12)17)14-15-13-6/h1-2,16H,(H2,12,17)(H,13,14,15)
InChIKeySRRCFKRAMQHXTF-UHFFFAOYSA-N
XLogP1.07
TPSA104.89 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.62
LogP ≤ 51.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

5-(5-fluoro-2-hydroxy-3-methoxyphenyl)-2H-triazole-4-carboxamide
CID 169404852
5-(3,5-difluorophenyl)-2H-triazole-4-carboxamide
CID 169402046
5-(2,4,5-trifluorophenyl)-2H-triazole-4-carboxamide
CID 169402152
5-[5-chloro-2-[(2-chloro-4-fluorophenyl)methoxy]phenyl]-2H-triazole-4-carboxamide
CID 169403345
5-(3,6-dichloro-2-fluorophenyl)-2H-triazole-4-carboxamide
CID 169402307
5-(3-bromo-4-fluoro-2-hydroxyphenyl)-2H-triazole-4-carboxamide
CID 169404863
5-(4-chloro-2-fluoro-3-methoxyphenyl)-2H-triazole-4-carboxamide
CID 169403614
5-[5-fluoro-2-(trifluoromethoxy)phenyl]-2H-triazole-4-carboxamide
CID 169403613
1-[5-(2-chloro-5-fluorophenyl)-2H-triazol-4-yl]ethanone
CID 82372901
5-(2-chloro-4-phenylphenyl)-2H-triazole-4-carboxamide
CID 169403250
5-[5-bromo-2-hydroxy-3-(trifluoromethoxy)phenyl]-2H-triazole-4-carboxamide
CID 169404776
5-[3-chloro-4-fluoro-5-(trifluoromethyl)phenyl]-2H-triazole-4-carboxamide
CID 169404502

Frequently Asked Questions

What is the IUPAC name of 5-(3-chloro-5-fluoro-2-hydroxyphenyl)-2H-triazole-4-carboxamide?
The IUPAC name of 5-(3-chloro-5-fluoro-2-hydroxyphenyl)-2H-triazole-4-carboxamide (CID 169402286) is 5-(3-chloro-5-fluoro-2-hydroxyphenyl)-2H-triazole-4-carboxamide.
What is the SMILES notation for 5-(3-chloro-5-fluoro-2-hydroxyphenyl)-2H-triazole-4-carboxamide?
The canonical SMILES for 5-(3-chloro-5-fluoro-2-hydroxyphenyl)-2H-triazole-4-carboxamide is NC(=O)c1n[nH]nc1-c1cc(F)cc(Cl)c1O.
What is the InChIKey of 5-(3-chloro-5-fluoro-2-hydroxyphenyl)-2H-triazole-4-carboxamide?
The InChIKey is SRRCFKRAMQHXTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6ClFN4O2/c10-5-2-3(11)1-4(8(5)16)6-7(9(12)17)14-15-13-6/h1-2,16H,(H2,12,17)(H,13,14,15).
What are the key properties of 5-(3-chloro-5-fluoro-2-hydroxyphenyl)-2H-triazole-4-carboxamide?
5-(3-chloro-5-fluoro-2-hydroxyphenyl)-2H-triazole-4-carboxamide has a molecular weight of 256.62 g/mol, XLogP of 1.07, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-chloro-5-fluoro-2-hydroxyphenyl)-2H-triazole-4-carboxamide is sourced from PubChem (CID 169402286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).