6-fluoro-2H-benzotriazole-4-carboxamide

C7H5FN4O — CID 130626841

IUPAC6-fluoro-2H-benzotriazole-4-carboxamide
SMILESNC(=O)c1cc(F)cc2n[nH]nc12
InChIInChI=1S/C7H5FN4O/c8-3-1-4(7(9)13)6-5(2-3)10-12-11-6/h1-2H,(H2,9,13)(H,10,11,12)
InChIKeyYDQRXJOAVKTQCH-UHFFFAOYSA-N
MW180.14 g/mol
LogP0.20
Rot. Bonds1

About 6-fluoro-2H-benzotriazole-4-carboxamide

6-fluoro-2H-benzotriazole-4-carboxamide (PubChem CID 130626841) has the molecular formula C7H5FN4O and a molecular weight of 180.14 g/mol. Its IUPAC name is 6-fluoro-2H-benzotriazole-4-carboxamide.

Molecular Properties

Compound Name6-fluoro-2H-benzotriazole-4-carboxamide
PubChem CID130626841
Molecular FormulaC7H5FN4O
Molecular Weight180.14 g/mol
Exact Mass180.04
IUPAC Name6-fluoro-2H-benzotriazole-4-carboxamide
SMILESNC(=O)c1cc(F)cc2n[nH]nc12
InChIInChI=1S/C7H5FN4O/c8-3-1-4(7(9)13)6-5(2-3)10-12-11-6/h1-2H,(H2,9,13)(H,10,11,12)
InChIKeyYDQRXJOAVKTQCH-UHFFFAOYSA-N
XLogP0.20
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.14
LogP ≤ 50.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-(4-phenylphenyl)-2H-benzotriazole-4-carboxamide
CID 85468861
6-(1,2,3,6-tetrahydropyridin-4-yl)-2H-benzotriazole-4-carboxamide
CID 175936440
5-(3,5-difluorophenyl)-2H-triazole-4-carboxamide
CID 169402046
CID 164564366
CID 164564366
5-(3-chloro-5-fluoro-2-hydroxyphenyl)-2H-triazole-4-carboxamide
CID 169402286
5-fluoro-2,3-dimethylbenzamide
CID 118990937
2,3-dibromo-5-fluorobenzamide
CID 119023969
5-fluoro-2-(3-hydroxypropanoyl)benzamide
CID 18700444
5-(2,4,5-trifluorophenyl)-2H-triazole-4-carboxamide
CID 169402152
2-(1-ethylpiperidin-3-yl)-5-fluoroindazole-7-carboxamide
CID 24968124
6-fluoroacridine-4-carboxamide
CID 174361752
2-(aminomethyl)-5-fluorobenzamide;hydrochloride
CID 173145989

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-2H-benzotriazole-4-carboxamide?
The IUPAC name of 6-fluoro-2H-benzotriazole-4-carboxamide (CID 130626841) is 6-fluoro-2H-benzotriazole-4-carboxamide.
What is the SMILES notation for 6-fluoro-2H-benzotriazole-4-carboxamide?
The canonical SMILES for 6-fluoro-2H-benzotriazole-4-carboxamide is NC(=O)c1cc(F)cc2n[nH]nc12.
What is the InChIKey of 6-fluoro-2H-benzotriazole-4-carboxamide?
The InChIKey is YDQRXJOAVKTQCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5FN4O/c8-3-1-4(7(9)13)6-5(2-3)10-12-11-6/h1-2H,(H2,9,13)(H,10,11,12).
What are the key properties of 6-fluoro-2H-benzotriazole-4-carboxamide?
6-fluoro-2H-benzotriazole-4-carboxamide has a molecular weight of 180.14 g/mol, XLogP of 0.20, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-2H-benzotriazole-4-carboxamide is sourced from PubChem (CID 130626841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).