1-[1-(5-fluoro-2-methoxy-3-pyridinyl)ethyl]triazole-4-carboxylic acid

C11H11FN4O3 — CID 168936037

IUPAC1-[1-(5-fluoro-2-methoxy-3-pyridinyl)ethyl]triazole-4-carboxylic acid
SMILESCOc1ncc(F)cc1C(C)n1cc(C(=O)O)nn1
InChIInChI=1S/C11H11FN4O3/c1-6(16-5-9(11(17)18)14-15-16)8-3-7(12)4-13-10(8)19-2/h3-6H,1-2H3,(H,17,18)
InChIKeyUCXQFBDFGRXGJK-UHFFFAOYSA-N
MW266.23 g/mol
LogP1.13
Rot. Bonds4

About 1-[1-(5-fluoro-2-methoxy-3-pyridinyl)ethyl]triazole-4-carboxylic acid

1-[1-(5-fluoro-2-methoxy-3-pyridinyl)ethyl]triazole-4-carboxylic acid (PubChem CID 168936037) has the molecular formula C11H11FN4O3 and a molecular weight of 266.23 g/mol. Its IUPAC name is 1-[1-(5-fluoro-2-methoxy-3-pyridinyl)ethyl]triazole-4-carboxylic acid.

Molecular Properties

Compound Name1-[1-(5-fluoro-2-methoxy-3-pyridinyl)ethyl]triazole-4-carboxylic acid
PubChem CID168936037
Molecular FormulaC11H11FN4O3
Molecular Weight266.23 g/mol
Exact Mass266.08
IUPAC Name1-[1-(5-fluoro-2-methoxy-3-pyridinyl)ethyl]triazole-4-carboxylic acid
SMILESCOc1ncc(F)cc1C(C)n1cc(C(=O)O)nn1
InChIInChI=1S/C11H11FN4O3/c1-6(16-5-9(11(17)18)14-15-16)8-3-7(12)4-13-10(8)19-2/h3-6H,1-2H3,(H,17,18)
InChIKeyUCXQFBDFGRXGJK-UHFFFAOYSA-N
XLogP1.13
TPSA90.13 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.23
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-fluoro-1-[(1S)-1-(5-fluoro-2-methoxy-3-pyridinyl)ethyl]pyrazol-4-amine
CID 168935703
5-fluoro-3-[(1S)-1-(3-fluoropyrazol-1-yl)ethyl]-2-methoxypyridine
CID 168936172
[(1R)-1-(5-fluoro-2-methoxy-3-pyridinyl)ethyl] acetate
CID 168936041
1-(5-fluoro-2-methoxy-3-pyridinyl)ethanamine;dihydrochloride
CID 162422590
1-(5-fluoro-2-methoxy-3-pyridinyl)ethyl diphenyl phosphate
CID 168936093
1-[4-(5-fluoro-2-methoxy-3-pyridinyl)piperazin-1-yl]-2-methylpropan-1-one
CID 176811705
1-(1-methoxy-1-oxobutan-2-yl)triazole-4-carboxylic acid
CID 82202502
methyl N-(5-fluoro-3-propan-2-yl-2-pyridinyl)carbamate
CID 134168238
1-[(2S)-1-phenylpropan-2-yl]triazole-4-carboxylic acid
CID 129494665
1-[1-(tert-butylamino)-1-oxopropan-2-yl]triazole-4-carboxylic acid
CID 62060904
N-[(2S)-1,1-dicyclopropyl-3-[[3-fluoro-1-[(1S)-1-(5-fluoro-2-methoxy-3-pyridinyl)ethyl]pyrazol-4-yl]amino]-3-oxopropan-2-yl]-4-ethyl-1,2,5-oxadiazole-3-carboxamide
CID 168935844
1-(2-fluoro-4-methoxyphenyl)triazole-4-carboxylic acid
CID 112708353

Frequently Asked Questions

What is the IUPAC name of 1-[1-(5-fluoro-2-methoxy-3-pyridinyl)ethyl]triazole-4-carboxylic acid?
The IUPAC name of 1-[1-(5-fluoro-2-methoxy-3-pyridinyl)ethyl]triazole-4-carboxylic acid (CID 168936037) is 1-[1-(5-fluoro-2-methoxy-3-pyridinyl)ethyl]triazole-4-carboxylic acid.
What is the SMILES notation for 1-[1-(5-fluoro-2-methoxy-3-pyridinyl)ethyl]triazole-4-carboxylic acid?
The canonical SMILES for 1-[1-(5-fluoro-2-methoxy-3-pyridinyl)ethyl]triazole-4-carboxylic acid is COc1ncc(F)cc1C(C)n1cc(C(=O)O)nn1.
What is the InChIKey of 1-[1-(5-fluoro-2-methoxy-3-pyridinyl)ethyl]triazole-4-carboxylic acid?
The InChIKey is UCXQFBDFGRXGJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FN4O3/c1-6(16-5-9(11(17)18)14-15-16)8-3-7(12)4-13-10(8)19-2/h3-6H,1-2H3,(H,17,18).
What are the key properties of 1-[1-(5-fluoro-2-methoxy-3-pyridinyl)ethyl]triazole-4-carboxylic acid?
1-[1-(5-fluoro-2-methoxy-3-pyridinyl)ethyl]triazole-4-carboxylic acid has a molecular weight of 266.23 g/mol, XLogP of 1.13, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(5-fluoro-2-methoxy-3-pyridinyl)ethyl]triazole-4-carboxylic acid is sourced from PubChem (CID 168936037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).