2-[(3R,4R)-2-hydroxy-3-methyloxaborolan-4-yl]-6-(4-methoxy-3-propoxyphenyl)pyridine

C19H24BNO4 — CID 156778789

IUPAC2-[(3R,4R)-2-hydroxy-3-methyloxaborolan-4-yl]-6-(4-methoxy-3-propoxyphenyl)pyridine
SMILESCCCOc1cc(-c2cccc([C@@H]3COB(O)[C@@H]3C)n2)ccc1OC
InChIInChI=1S/C19H24BNO4/c1-4-10-24-19-11-14(8-9-18(19)23-3)16-6-5-7-17(21-16)15-12-25-20(22)13(15)2/h5-9,11,13,15,22H,4,10,12H2,1-3H3/t13-,15-/m1/s1
InChIKeyXDKYSAPKSNEVFP-UKRRQHHQSA-N
MW341.22 g/mol
LogP3.53
Rot. Bonds6

About 2-[(3R,4R)-2-hydroxy-3-methyloxaborolan-4-yl]-6-(4-methoxy-3-propoxyphenyl)pyridine

2-[(3R,4R)-2-hydroxy-3-methyloxaborolan-4-yl]-6-(4-methoxy-3-propoxyphenyl)pyridine (PubChem CID 156778789) has the molecular formula C19H24BNO4 and a molecular weight of 341.22 g/mol. Its IUPAC name is 2-[(3R,4R)-2-hydroxy-3-methyloxaborolan-4-yl]-6-(4-methoxy-3-propoxyphenyl)pyridine.

Molecular Properties

Compound Name2-[(3R,4R)-2-hydroxy-3-methyloxaborolan-4-yl]-6-(4-methoxy-3-propoxyphenyl)pyridine
PubChem CID156778789
Molecular FormulaC19H24BNO4
Molecular Weight341.22 g/mol
Exact Mass341.18
IUPAC Name2-[(3R,4R)-2-hydroxy-3-methyloxaborolan-4-yl]-6-(4-methoxy-3-propoxyphenyl)pyridine
SMILESCCCOc1cc(-c2cccc([C@@H]3COB(O)[C@@H]3C)n2)ccc1OC
InChIInChI=1S/C19H24BNO4/c1-4-10-24-19-11-14(8-9-18(19)23-3)16-6-5-7-17(21-16)15-12-25-20(22)13(15)2/h5-9,11,13,15,22H,4,10,12H2,1-3H3/t13-,15-/m1/s1
InChIKeyXDKYSAPKSNEVFP-UKRRQHHQSA-N
XLogP3.53
TPSA60.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.22
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

2-[(4S)-2-hydroxyoxaborolan-4-yl]-6-(4-methoxy-3-propoxyphenyl)pyrazine
CID 156778851
2-bromo-6-(4-methoxy-3-propoxyphenyl)pyridine
CID 146460657
[4-[(4R)-2-hydroxyoxaborolan-4-yl]-6-(4-methoxy-3-propoxyphenyl)-2-pyridinyl]methanol
CID 156778870
4-[(4S)-2-hydroxyoxaborolan-4-yl]-2-(4-methoxy-3-propoxyphenyl)pyrimidine
CID 156778822
3-(2-hydroxyoxaborolan-4-yl)-5-(4-methoxy-3-propoxyphenyl)-1,2,4-thiadiazole
CID 150906143
3-(2-hydroxyoxaborolan-4-yl)-1-(4-methoxy-3-propoxyphenyl)pyrazole
CID 150291103
6-[6-[(4S)-2-hydroxyoxaborolan-4-yl]-2-pyridinyl]-3-methoxy-2-propoxybenzonitrile
CID 156778810
3-[(4R)-2,2-dihydroxy-1-oxa-2-boranuidacyclopent-4-yl]-5-(4-methoxy-3-propoxyphenyl)pyridine
CID 153474628
2-(4-methoxy-3-propoxyphenyl)-1H-benzimidazole
CID 110539403
2-(2-fluoro-4-methoxy-3-propoxyphenyl)-6-[(4S)-2-hydroxyoxaborolan-4-yl]pyrazine
CID 156778836
(4S)-4-[3-(2-fluoro-4-methoxy-3-propoxyphenyl)phenyl]-2-hydroxyoxaborolane
CID 156900438
3-(3-methoxy-4-propoxyphenyl)-5-methyl-1,2,4-oxadiazole
CID 46043975

Frequently Asked Questions

What is the IUPAC name of 2-[(3R,4R)-2-hydroxy-3-methyloxaborolan-4-yl]-6-(4-methoxy-3-propoxyphenyl)pyridine?
The IUPAC name of 2-[(3R,4R)-2-hydroxy-3-methyloxaborolan-4-yl]-6-(4-methoxy-3-propoxyphenyl)pyridine (CID 156778789) is 2-[(3R,4R)-2-hydroxy-3-methyloxaborolan-4-yl]-6-(4-methoxy-3-propoxyphenyl)pyridine.
What is the SMILES notation for 2-[(3R,4R)-2-hydroxy-3-methyloxaborolan-4-yl]-6-(4-methoxy-3-propoxyphenyl)pyridine?
The canonical SMILES for 2-[(3R,4R)-2-hydroxy-3-methyloxaborolan-4-yl]-6-(4-methoxy-3-propoxyphenyl)pyridine is CCCOc1cc(-c2cccc([C@@H]3COB(O)[C@@H]3C)n2)ccc1OC.
What is the InChIKey of 2-[(3R,4R)-2-hydroxy-3-methyloxaborolan-4-yl]-6-(4-methoxy-3-propoxyphenyl)pyridine?
The InChIKey is XDKYSAPKSNEVFP-UKRRQHHQSA-N. The full InChI is InChI=1S/C19H24BNO4/c1-4-10-24-19-11-14(8-9-18(19)23-3)16-6-5-7-17(21-16)15-12-25-20(22)13(15)2/h5-9,11,13,15,22H,4,10,12H2,1-3H3/t13-,15-/m1/s1.
What are the key properties of 2-[(3R,4R)-2-hydroxy-3-methyloxaborolan-4-yl]-6-(4-methoxy-3-propoxyphenyl)pyridine?
2-[(3R,4R)-2-hydroxy-3-methyloxaborolan-4-yl]-6-(4-methoxy-3-propoxyphenyl)pyridine has a molecular weight of 341.22 g/mol, XLogP of 3.53, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R,4R)-2-hydroxy-3-methyloxaborolan-4-yl]-6-(4-methoxy-3-propoxyphenyl)pyridine is sourced from PubChem (CID 156778789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).