3-[(3-hydroxynaphthalen-2-yl)oxymethyl]pyridine-2-carbonitrile

C17H12N2O2 — CID 62894437

IUPAC3-[(3-hydroxynaphthalen-2-yl)oxymethyl]pyridine-2-carbonitrile
SMILESN#Cc1ncccc1COc1cc2ccccc2cc1O
InChIInChI=1S/C17H12N2O2/c18-10-15-14(6-3-7-19-15)11-21-17-9-13-5-2-1-4-12(13)8-16(17)20/h1-9,20H,11H2
InChIKeyOIXNSWLIKAGKGE-UHFFFAOYSA-N
MW276.30 g/mol
LogP3.39
Rot. Bonds3

About 3-[(3-hydroxynaphthalen-2-yl)oxymethyl]pyridine-2-carbonitrile

3-[(3-hydroxynaphthalen-2-yl)oxymethyl]pyridine-2-carbonitrile (PubChem CID 62894437) has the molecular formula C17H12N2O2 and a molecular weight of 276.30 g/mol. Its IUPAC name is 3-[(3-hydroxynaphthalen-2-yl)oxymethyl]pyridine-2-carbonitrile.

Molecular Properties

Compound Name3-[(3-hydroxynaphthalen-2-yl)oxymethyl]pyridine-2-carbonitrile
PubChem CID62894437
Molecular FormulaC17H12N2O2
Molecular Weight276.30 g/mol
Exact Mass276.09
IUPAC Name3-[(3-hydroxynaphthalen-2-yl)oxymethyl]pyridine-2-carbonitrile
SMILESN#Cc1ncccc1COc1cc2ccccc2cc1O
InChIInChI=1S/C17H12N2O2/c18-10-15-14(6-3-7-19-15)11-21-17-9-13-5-2-1-4-12(13)8-16(17)20/h1-9,20H,11H2
InChIKeyOIXNSWLIKAGKGE-UHFFFAOYSA-N
XLogP3.39
TPSA66.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.30
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(2-tert-butylphenoxy)methyl]pyridine-2-carbonitrile
CID 62920098
[2-[(2-cyano-3-pyridinyl)methoxy]-5-methoxyphenyl]boronic acid
CID 104706075
3-[(2-methylpropan-2-yl)oxymethyl]pyridine-2-carbonitrile
CID 62919079
3-[[2-[(1S)-1-hydroxypropyl]phenoxy]methyl]pyridine-2-carbonitrile
CID 63364338
3-[(4-aminophenoxy)methyl]pyridine-2-carbonitrile
CID 62889971
3-[(4-fluorophenoxy)methyl]pyridine-2-carbonitrile
CID 10036717
2-(3-hydroxynaphthalen-2-yl)oxyacetonitrile
CID 43143618
3-[(2-bromo-4-chlorophenoxy)methyl]pyridine-2-carbonitrile
CID 62919246
3-[(4-bromo-2,5-dichlorophenoxy)methyl]pyridine-2-carbonitrile
CID 107658072
3-[[2-(bromomethyl)-5-methoxyphenoxy]methyl]pyridine-2-carbonitrile
CID 62893586
4-amino-2-[(2-cyano-3-pyridinyl)methoxy]benzamide
CID 106955558
4-amino-2-[(2-cyano-3-pyridinyl)methoxy]benzoic acid
CID 106954817

Frequently Asked Questions

What is the IUPAC name of 3-[(3-hydroxynaphthalen-2-yl)oxymethyl]pyridine-2-carbonitrile?
The IUPAC name of 3-[(3-hydroxynaphthalen-2-yl)oxymethyl]pyridine-2-carbonitrile (CID 62894437) is 3-[(3-hydroxynaphthalen-2-yl)oxymethyl]pyridine-2-carbonitrile.
What is the SMILES notation for 3-[(3-hydroxynaphthalen-2-yl)oxymethyl]pyridine-2-carbonitrile?
The canonical SMILES for 3-[(3-hydroxynaphthalen-2-yl)oxymethyl]pyridine-2-carbonitrile is N#Cc1ncccc1COc1cc2ccccc2cc1O.
What is the InChIKey of 3-[(3-hydroxynaphthalen-2-yl)oxymethyl]pyridine-2-carbonitrile?
The InChIKey is OIXNSWLIKAGKGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N2O2/c18-10-15-14(6-3-7-19-15)11-21-17-9-13-5-2-1-4-12(13)8-16(17)20/h1-9,20H,11H2.
What are the key properties of 3-[(3-hydroxynaphthalen-2-yl)oxymethyl]pyridine-2-carbonitrile?
3-[(3-hydroxynaphthalen-2-yl)oxymethyl]pyridine-2-carbonitrile has a molecular weight of 276.30 g/mol, XLogP of 3.39, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-hydroxynaphthalen-2-yl)oxymethyl]pyridine-2-carbonitrile is sourced from PubChem (CID 62894437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).