6-[[4-[3-(cyclopropylmethoxy)phenoxy]-2,6-difluorophenyl]methoxy]pyridine-3-carboxylic acid

C23H19F2NO5 — CID 134226939

IUPAC6-[[4-[3-(cyclopropylmethoxy)phenoxy]-2,6-difluorophenyl]methoxy]pyridine-3-carboxylic acid
SMILESO=C(O)c1ccc(OCc2c(F)cc(Oc3cccc(OCC4CC4)c3)cc2F)nc1
InChIInChI=1S/C23H19F2NO5/c24-20-9-18(31-17-3-1-2-16(8-17)29-12-14-4-5-14)10-21(25)19(20)13-30-22-7-6-15(11-26-22)23(27)28/h1-3,6-11,14H,4-5,12-13H2,(H,27,28)
InChIKeyWCTUKHHKJAIMDG-UHFFFAOYSA-N
MW427.40 g/mol
LogP5.22
Rot. Bonds9

About 6-[[4-[3-(cyclopropylmethoxy)phenoxy]-2,6-difluorophenyl]methoxy]pyridine-3-carboxylic acid

6-[[4-[3-(cyclopropylmethoxy)phenoxy]-2,6-difluorophenyl]methoxy]pyridine-3-carboxylic acid (PubChem CID 134226939) has the molecular formula C23H19F2NO5 and a molecular weight of 427.40 g/mol. Its IUPAC name is 6-[[4-[3-(cyclopropylmethoxy)phenoxy]-2,6-difluorophenyl]methoxy]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-[[4-[3-(cyclopropylmethoxy)phenoxy]-2,6-difluorophenyl]methoxy]pyridine-3-carboxylic acid
PubChem CID134226939
Molecular FormulaC23H19F2NO5
Molecular Weight427.40 g/mol
Exact Mass427.12
IUPAC Name6-[[4-[3-(cyclopropylmethoxy)phenoxy]-2,6-difluorophenyl]methoxy]pyridine-3-carboxylic acid
SMILESO=C(O)c1ccc(OCc2c(F)cc(Oc3cccc(OCC4CC4)c3)cc2F)nc1
InChIInChI=1S/C23H19F2NO5/c24-20-9-18(31-17-3-1-2-16(8-17)29-12-14-4-5-14)10-21(25)19(20)13-30-22-7-6-15(11-26-22)23(27)28/h1-3,6-11,14H,4-5,12-13H2,(H,27,28)
InChIKeyWCTUKHHKJAIMDG-UHFFFAOYSA-N
XLogP5.22
TPSA77.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.40
LogP ≤ 55.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-[[4-[3-(cyclopropylmethoxy)phenoxy]-2,6-difluorophenyl]methoxy]pyridine-3-carboxylic acid with MolForge

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Related Compounds

N-[1-[6-[[4-[3-(cyclopropylmethoxy)phenoxy]-2-fluorophenyl]methoxy]-3-pyridinyl]ethyl]acetamide
CID 134226929
3-(1-azidoethyl)-6-[[4-[3-(cyclopropylmethoxy)phenoxy]-2,6-difluorophenyl]methoxy]pyridazine
CID 134227041
6-(cyclopentylmethoxy)pyridine-3-carboxylic acid
CID 66324302
3-(cyclooctylmethoxy)benzoic acid
CID 58347494
6-(cyclopropylmethoxy)pyridine-3-carbonyl chloride
CID 118481303
2-[3-(cyclopropylmethoxy)phenyl]acetic acid
CID 61398066
1-bromo-3-[3-(cyclopropylmethoxy)phenoxy]benzene
CID 175036733
(3S)-3-[[3-(4-chlorophenoxy)phenoxy]methyl]pyrrolidine-1-carboxylic acid
CID 67537426
6-[[2-(cyclopropylmethoxy)-5-[(3-fluorophenyl)methoxy]benzoyl]amino]pyridine-3-carboxylic acid
CID 71556639
6-(3,5-dimethoxyphenoxy)pyridine-3-carboxylic acid
CID 43589848
3-[3-(cyclopropylmethoxy)propoxy]benzoic acid
CID 55180706
3-[2-(cyclopropylmethoxy)ethoxy]benzoic acid
CID 43532308

Frequently Asked Questions

What is the IUPAC name of 6-[[4-[3-(cyclopropylmethoxy)phenoxy]-2,6-difluorophenyl]methoxy]pyridine-3-carboxylic acid?
The IUPAC name of 6-[[4-[3-(cyclopropylmethoxy)phenoxy]-2,6-difluorophenyl]methoxy]pyridine-3-carboxylic acid (CID 134226939) is 6-[[4-[3-(cyclopropylmethoxy)phenoxy]-2,6-difluorophenyl]methoxy]pyridine-3-carboxylic acid.
What is the SMILES notation for 6-[[4-[3-(cyclopropylmethoxy)phenoxy]-2,6-difluorophenyl]methoxy]pyridine-3-carboxylic acid?
The canonical SMILES for 6-[[4-[3-(cyclopropylmethoxy)phenoxy]-2,6-difluorophenyl]methoxy]pyridine-3-carboxylic acid is O=C(O)c1ccc(OCc2c(F)cc(Oc3cccc(OCC4CC4)c3)cc2F)nc1.
What is the InChIKey of 6-[[4-[3-(cyclopropylmethoxy)phenoxy]-2,6-difluorophenyl]methoxy]pyridine-3-carboxylic acid?
The InChIKey is WCTUKHHKJAIMDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19F2NO5/c24-20-9-18(31-17-3-1-2-16(8-17)29-12-14-4-5-14)10-21(25)19(20)13-30-22-7-6-15(11-26-22)23(27)28/h1-3,6-11,14H,4-5,12-13H2,(H,27,28).
What are the key properties of 6-[[4-[3-(cyclopropylmethoxy)phenoxy]-2,6-difluorophenyl]methoxy]pyridine-3-carboxylic acid?
6-[[4-[3-(cyclopropylmethoxy)phenoxy]-2,6-difluorophenyl]methoxy]pyridine-3-carboxylic acid has a molecular weight of 427.40 g/mol, XLogP of 5.22, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[4-[3-(cyclopropylmethoxy)phenoxy]-2,6-difluorophenyl]methoxy]pyridine-3-carboxylic acid is sourced from PubChem (CID 134226939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).