4-[(4-hydroxyphenoxy)methyl]pyridine-2-carbonitrile

C13H10N2O2 — CID 63882551

IUPAC4-[(4-hydroxyphenoxy)methyl]pyridine-2-carbonitrile
SMILESN#Cc1cc(COc2ccc(O)cc2)ccn1
InChIInChI=1S/C13H10N2O2/c14-8-11-7-10(5-6-15-11)9-17-13-3-1-12(16)2-4-13/h1-7,16H,9H2
InChIKeyWAXNUGOTDMPQQC-UHFFFAOYSA-N
MW226.23 g/mol
LogP2.24
Rot. Bonds3

About 4-[(4-hydroxyphenoxy)methyl]pyridine-2-carbonitrile

4-[(4-hydroxyphenoxy)methyl]pyridine-2-carbonitrile (PubChem CID 63882551) has the molecular formula C13H10N2O2 and a molecular weight of 226.23 g/mol. Its IUPAC name is 4-[(4-hydroxyphenoxy)methyl]pyridine-2-carbonitrile.

Molecular Properties

Compound Name4-[(4-hydroxyphenoxy)methyl]pyridine-2-carbonitrile
PubChem CID63882551
Molecular FormulaC13H10N2O2
Molecular Weight226.23 g/mol
Exact Mass226.07
IUPAC Name4-[(4-hydroxyphenoxy)methyl]pyridine-2-carbonitrile
SMILESN#Cc1cc(COc2ccc(O)cc2)ccn1
InChIInChI=1S/C13H10N2O2/c14-8-11-7-10(5-6-15-11)9-17-13-3-1-12(16)2-4-13/h1-7,16H,9H2
InChIKeyWAXNUGOTDMPQQC-UHFFFAOYSA-N
XLogP2.24
TPSA66.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.23
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(4-bromophenoxy)methyl]pyridine-2-carbonitrile
CID 63880574
4-[[4-(ethylaminomethyl)phenoxy]methyl]pyridine-2-carbonitrile
CID 63889419
4-[[4-[(1S)-1-aminoethyl]phenoxy]methyl]pyridine-2-carbonitrile
CID 63888851
4-[(4-bromo-3-fluorophenoxy)methyl]pyridine-2-carbonitrile
CID 65203604
4-[(3-aminophenoxy)methyl]pyridine-2-carbonitrile
CID 63888827
3-[(2-cyano-4-pyridinyl)methoxy]benzoic acid
CID 63888033
4-[(4-chloro-3-methylphenoxy)methyl]pyridine-2-carbonitrile
CID 63884435
4-[[3-(chloromethyl)phenoxy]methyl]pyridine-2-carbonitrile
CID 63882354
4-[[3-(aminomethyl)phenoxy]methyl]pyridine-2-carbonitrile
CID 63887840
4-[[4-[2-(methylamino)propyl]phenoxy]methyl]pyridine-2-carbonitrile
CID 115494851
4-[(2-cyano-4-pyridinyl)methoxy]-2-methylbenzoic acid
CID 107671245
4-[[3-(trifluoromethyl)phenoxy]methyl]pyridine-2-carbonitrile
CID 63884627

Frequently Asked Questions

What is the IUPAC name of 4-[(4-hydroxyphenoxy)methyl]pyridine-2-carbonitrile?
The IUPAC name of 4-[(4-hydroxyphenoxy)methyl]pyridine-2-carbonitrile (CID 63882551) is 4-[(4-hydroxyphenoxy)methyl]pyridine-2-carbonitrile.
What is the SMILES notation for 4-[(4-hydroxyphenoxy)methyl]pyridine-2-carbonitrile?
The canonical SMILES for 4-[(4-hydroxyphenoxy)methyl]pyridine-2-carbonitrile is N#Cc1cc(COc2ccc(O)cc2)ccn1.
What is the InChIKey of 4-[(4-hydroxyphenoxy)methyl]pyridine-2-carbonitrile?
The InChIKey is WAXNUGOTDMPQQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2O2/c14-8-11-7-10(5-6-15-11)9-17-13-3-1-12(16)2-4-13/h1-7,16H,9H2.
What are the key properties of 4-[(4-hydroxyphenoxy)methyl]pyridine-2-carbonitrile?
4-[(4-hydroxyphenoxy)methyl]pyridine-2-carbonitrile has a molecular weight of 226.23 g/mol, XLogP of 2.24, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-hydroxyphenoxy)methyl]pyridine-2-carbonitrile is sourced from PubChem (CID 63882551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).