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

C10H8ClFN4O2 — CID 169403614

IUPAC5-(4-chloro-2-fluoro-3-methoxyphenyl)-2H-triazole-4-carboxamide
SMILESCOc1c(Cl)ccc(-c2n[nH]nc2C(N)=O)c1F
InChIInChI=1S/C10H8ClFN4O2/c1-18-9-5(11)3-2-4(6(9)12)7-8(10(13)17)15-16-14-7/h2-3H,1H3,(H2,13,17)(H,14,15,16)
InChIKeyIINVQNDIPJTVDM-UHFFFAOYSA-N
MW270.65 g/mol
LogP1.37
Rot. Bonds3

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

5-(4-chloro-2-fluoro-3-methoxyphenyl)-2H-triazole-4-carboxamide (PubChem CID 169403614) has the molecular formula C10H8ClFN4O2 and a molecular weight of 270.65 g/mol. Its IUPAC name is 5-(4-chloro-2-fluoro-3-methoxyphenyl)-2H-triazole-4-carboxamide.

Molecular Properties

Compound Name5-(4-chloro-2-fluoro-3-methoxyphenyl)-2H-triazole-4-carboxamide
PubChem CID169403614
Molecular FormulaC10H8ClFN4O2
Molecular Weight270.65 g/mol
Exact Mass270.03
IUPAC Name5-(4-chloro-2-fluoro-3-methoxyphenyl)-2H-triazole-4-carboxamide
SMILESCOc1c(Cl)ccc(-c2n[nH]nc2C(N)=O)c1F
InChIInChI=1S/C10H8ClFN4O2/c1-18-9-5(11)3-2-4(6(9)12)7-8(10(13)17)15-16-14-7/h2-3H,1H3,(H2,13,17)(H,14,15,16)
InChIKeyIINVQNDIPJTVDM-UHFFFAOYSA-N
XLogP1.37
TPSA93.89 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.65
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(3-bromo-4-fluoro-2-methoxyphenyl)-2H-triazole-4-carboxamide
CID 169404864
5-(3,6-dichloro-2-fluorophenyl)-2H-triazole-4-carboxamide
CID 169402307
5-(5-chloro-2-methoxyphenyl)-2H-triazole-4-carboxamide
CID 169402198
5-[2-[(2,6-dichlorophenyl)methoxy]-3-methoxyphenyl]-2H-triazole-4-carboxamide
CID 169403698
4-amino-3-chloro-6-(4-chloro-2-fluoro-3-methoxyphenyl)-5-phosphanylpyridine-2-carboxylic acid
CID 155064884
1-chloro-4-(4-chloro-2-fluoro-3-methoxyphenyl)-3-fluoro-2-methoxybenzene
CID 122700549
5-(3-chloro-5-fluoro-2-hydroxyphenyl)-2H-triazole-4-carboxamide
CID 169402286
methyl 2-[[4-amino-3-chloro-6-(4-chloro-2-fluoro-3-methoxyphenyl)-5-fluoropyridine-2-carbonyl]amino]acetate
CID 175232153
5-(5-fluoro-2-hydroxy-3-methoxyphenyl)-2H-triazole-4-carboxamide
CID 169404852
4-amino-3-chloro-6-(4-chloro-2-fluoro-3-methoxyphenyl)-5-fluoro-N-prop-2-enoxypyridine-2-carboxamide
CID 59471260
5-(2-chloro-4-phenylphenyl)-2H-triazole-4-carboxamide
CID 169403250
5-(2,4,5-trifluorophenyl)-2H-triazole-4-carboxamide
CID 169402152

Frequently Asked Questions

What is the IUPAC name of 5-(4-chloro-2-fluoro-3-methoxyphenyl)-2H-triazole-4-carboxamide?
The IUPAC name of 5-(4-chloro-2-fluoro-3-methoxyphenyl)-2H-triazole-4-carboxamide (CID 169403614) is 5-(4-chloro-2-fluoro-3-methoxyphenyl)-2H-triazole-4-carboxamide.
What is the SMILES notation for 5-(4-chloro-2-fluoro-3-methoxyphenyl)-2H-triazole-4-carboxamide?
The canonical SMILES for 5-(4-chloro-2-fluoro-3-methoxyphenyl)-2H-triazole-4-carboxamide is COc1c(Cl)ccc(-c2n[nH]nc2C(N)=O)c1F.
What is the InChIKey of 5-(4-chloro-2-fluoro-3-methoxyphenyl)-2H-triazole-4-carboxamide?
The InChIKey is IINVQNDIPJTVDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClFN4O2/c1-18-9-5(11)3-2-4(6(9)12)7-8(10(13)17)15-16-14-7/h2-3H,1H3,(H2,13,17)(H,14,15,16).
What are the key properties of 5-(4-chloro-2-fluoro-3-methoxyphenyl)-2H-triazole-4-carboxamide?
5-(4-chloro-2-fluoro-3-methoxyphenyl)-2H-triazole-4-carboxamide has a molecular weight of 270.65 g/mol, XLogP of 1.37, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chloro-2-fluoro-3-methoxyphenyl)-2H-triazole-4-carboxamide is sourced from PubChem (CID 169403614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).