2-(2-fluoropropan-2-yl)-6-(oxan-3-yloxy)pyridine;6-methoxypyridazine-3-carboxylic acid

C19H24FN3O5 — CID 177015330

IUPAC2-(2-fluoropropan-2-yl)-6-(oxan-3-yloxy)pyridine;6-methoxypyridazine-3-carboxylic acid
SMILESCC(C)(F)c1cccc(OC2CCCOC2)n1.COc1ccc(C(=O)O)nn1
InChIInChI=1S/C13H18FNO2.C6H6N2O3/c1-13(2,14)11-6-3-7-12(15-11)17-10-5-4-8-16-9-10;1-11-5-3-2-4(6(9)10)7-8-5/h3,6-7,10H,4-5,8-9H2,1-2H3;2-3H,1H3,(H,9,10)
InChIKeyIKBQNVKYTILBPM-UHFFFAOYSA-N
MW393.42 g/mol
LogP3.03
Rot. Bonds5

About 2-(2-fluoropropan-2-yl)-6-(oxan-3-yloxy)pyridine;6-methoxypyridazine-3-carboxylic acid

2-(2-fluoropropan-2-yl)-6-(oxan-3-yloxy)pyridine;6-methoxypyridazine-3-carboxylic acid (PubChem CID 177015330) has the molecular formula C19H24FN3O5 and a molecular weight of 393.42 g/mol. Its IUPAC name is 2-(2-fluoropropan-2-yl)-6-(oxan-3-yloxy)pyridine;6-methoxypyridazine-3-carboxylic acid.

Molecular Properties

Compound Name2-(2-fluoropropan-2-yl)-6-(oxan-3-yloxy)pyridine;6-methoxypyridazine-3-carboxylic acid
PubChem CID177015330
Molecular FormulaC19H24FN3O5
Molecular Weight393.42 g/mol
Exact Mass393.17
IUPAC Name2-(2-fluoropropan-2-yl)-6-(oxan-3-yloxy)pyridine;6-methoxypyridazine-3-carboxylic acid
SMILESCC(C)(F)c1cccc(OC2CCCOC2)n1.COc1ccc(C(=O)O)nn1
InChIInChI=1S/C13H18FNO2.C6H6N2O3/c1-13(2,14)11-6-3-7-12(15-11)17-10-5-4-8-16-9-10;1-11-5-3-2-4(6(9)10)7-8-5/h3,6-7,10H,4-5,8-9H2,1-2H3;2-3H,1H3,(H,9,10)
InChIKeyIKBQNVKYTILBPM-UHFFFAOYSA-N
XLogP3.03
TPSA103.66 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.42
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

6-[2-[(2R,3R,4S,5R,6R)-4,5-dihydroxy-6-methyl-3-[[6-(trifluoromethyl)-2-pyridinyl]oxy]oxan-2-yl]ethynyl]pyridazine-3-carboxylic acid
CID 171556797
6-[[(2R,3R,4S,5S)-3,4-dihydroxy-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]oxan-2-yl]methoxy]pyridazine-3-carboxylic acid
CID 171556820
6-[3-[(2R,3R,4S,5R,6R)-4,5-dihydroxy-6-methyl-3-[[6-(trifluoromethyl)-2-pyridinyl]oxy]oxan-2-yl]prop-2-ynoxy]pyridazine-3-carboxylic acid
CID 171556958
6-[4-[[(2R,3R,4S,5S)-3,4-dihydroxy-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]oxan-2-yl]methoxy]phenyl]pyridazine-3-carboxylic acid
CID 171557041
tert-butyl 6-[4-[[(2R,3R,4S,5S)-3,4-dihydroxy-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]oxan-2-yl]methoxy]phenyl]pyridazine-3-carboxylate
CID 171557383
methyl 6-[2-[(2R,3R,4S,5R,6R)-4,5-dihydroxy-6-methyl-3-[[6-(trifluoromethyl)-2-pyridinyl]oxy]oxan-2-yl]ethyl]pyridazine-3-carboxylate
CID 171557405
1-[4-[6-[[(2R,3R,4S,5S)-5-[[6-(1,1-difluoroethyl)-2-pyridinyl]oxy]-3,4-dihydroxyoxan-2-yl]methoxy]pyridazin-3-yl]phenyl]ethanone
CID 171557597
4-[6-[[(2R,3R,4S,5S)-3,4-dihydroxy-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]oxan-2-yl]methoxy]pyridazin-3-yl]benzoic acid
CID 171558173
methyl 6-[2-[(2R,3R,4S,5R,6R)-4,5-dihydroxy-6-methyl-3-[[6-(trifluoromethyl)-2-pyridinyl]oxy]oxan-2-yl]ethynyl]pyridazine-3-carboxylate
CID 171558251
6-[[(2R,3R,4S,5R,6R)-4,5-dihydroxy-6-methyl-3-[[6-(trifluoromethyl)-2-pyridinyl]oxy]oxan-2-yl]methoxy]pyridazine-3-carboxylic acid
CID 171558322
tert-butyl 6-[[(3aS,4R,6R,7S,7aR)-2,2,4-trimethyl-7-[[6-(trifluoromethyl)-2-pyridinyl]oxy]-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-6-yl]methoxy]pyridazine-3-carboxylate
CID 171558684
6-[[(2R,3R,4S,5S)-3,4-dihydroxy-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]oxan-2-yl]methoxy]pyridazine-3-carboxamide
CID 176307043

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoropropan-2-yl)-6-(oxan-3-yloxy)pyridine;6-methoxypyridazine-3-carboxylic acid?
The IUPAC name of 2-(2-fluoropropan-2-yl)-6-(oxan-3-yloxy)pyridine;6-methoxypyridazine-3-carboxylic acid (CID 177015330) is 2-(2-fluoropropan-2-yl)-6-(oxan-3-yloxy)pyridine;6-methoxypyridazine-3-carboxylic acid.
What is the SMILES notation for 2-(2-fluoropropan-2-yl)-6-(oxan-3-yloxy)pyridine;6-methoxypyridazine-3-carboxylic acid?
The canonical SMILES for 2-(2-fluoropropan-2-yl)-6-(oxan-3-yloxy)pyridine;6-methoxypyridazine-3-carboxylic acid is CC(C)(F)c1cccc(OC2CCCOC2)n1.COc1ccc(C(=O)O)nn1.
What is the InChIKey of 2-(2-fluoropropan-2-yl)-6-(oxan-3-yloxy)pyridine;6-methoxypyridazine-3-carboxylic acid?
The InChIKey is IKBQNVKYTILBPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNO2.C6H6N2O3/c1-13(2,14)11-6-3-7-12(15-11)17-10-5-4-8-16-9-10;1-11-5-3-2-4(6(9)10)7-8-5/h3,6-7,10H,4-5,8-9H2,1-2H3;2-3H,1H3,(H,9,10).
What are the key properties of 2-(2-fluoropropan-2-yl)-6-(oxan-3-yloxy)pyridine;6-methoxypyridazine-3-carboxylic acid?
2-(2-fluoropropan-2-yl)-6-(oxan-3-yloxy)pyridine;6-methoxypyridazine-3-carboxylic acid has a molecular weight of 393.42 g/mol, XLogP of 3.03, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoropropan-2-yl)-6-(oxan-3-yloxy)pyridine;6-methoxypyridazine-3-carboxylic acid is sourced from PubChem (CID 177015330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).