4-(pyridin-3-ylmethyl)phenol;hydrochloride

C12H12ClNO — CID 13290136

IUPAC4-(pyridin-3-ylmethyl)phenol;hydrochloride
SMILESCl.Oc1ccc(Cc2cccnc2)cc1
InChIInChI=1S/C12H11NO.ClH/c14-12-5-3-10(4-6-12)8-11-2-1-7-13-9-11;/h1-7,9,14H,8H2;1H
InChIKeyFLOQYHAVEIGXNG-UHFFFAOYSA-N
MW221.69 g/mol
LogP2.80
Rot. Bonds2

About 4-(pyridin-3-ylmethyl)phenol;hydrochloride

4-(pyridin-3-ylmethyl)phenol;hydrochloride (PubChem CID 13290136) has the molecular formula C12H12ClNO and a molecular weight of 221.69 g/mol. Its IUPAC name is 4-(pyridin-3-ylmethyl)phenol;hydrochloride.

Molecular Properties

Compound Name4-(pyridin-3-ylmethyl)phenol;hydrochloride
PubChem CID13290136
Molecular FormulaC12H12ClNO
Molecular Weight221.69 g/mol
Exact Mass221.06
IUPAC Name4-(pyridin-3-ylmethyl)phenol;hydrochloride
SMILESCl.Oc1ccc(Cc2cccnc2)cc1
InChIInChI=1S/C12H11NO.ClH/c14-12-5-3-10(4-6-12)8-11-2-1-7-13-9-11;/h1-7,9,14H,8H2;1H
InChIKeyFLOQYHAVEIGXNG-UHFFFAOYSA-N
XLogP2.80
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.69
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(pyridin-3-ylmethyl)pyridine
CID 14762640
3-benzylpyridine;formic acid
CID 174503454
3-[[4-(4-ethylphenyl)phenyl]methyl]pyridine
CID 143881786
2-methyl-4-(pyridin-3-ylmethyl)phenol
CID 13365794
CID 131886054
CID 131886054
bis(benzene-1,4-diol);benzylbenzene
CID 159915102
4-(pyridin-3-ylmethyl)benzene-1,2-diamine
CID 13276723
(Z)-2-chloro-3-[4-(pyridin-3-ylmethyl)phenyl]prop-2-enoic acid
CID 88717659
5-(pyridin-3-ylmethyl)-1,3-benzodioxol-2-one
CID 13475600
4-[1-(4-hydroxyphenyl)-2-methyl-4-pyridin-3-ylbut-1-enyl]phenol
CID 166634744
3-[[4-(diethoxymethyl)phenyl]methyl]pyridine
CID 12882176
N-methyl-1-pyridin-3-ylmethanamine;hydrochloride
CID 17290665

Frequently Asked Questions

What is the IUPAC name of 4-(pyridin-3-ylmethyl)phenol;hydrochloride?
The IUPAC name of 4-(pyridin-3-ylmethyl)phenol;hydrochloride (CID 13290136) is 4-(pyridin-3-ylmethyl)phenol;hydrochloride.
What is the SMILES notation for 4-(pyridin-3-ylmethyl)phenol;hydrochloride?
The canonical SMILES for 4-(pyridin-3-ylmethyl)phenol;hydrochloride is Cl.Oc1ccc(Cc2cccnc2)cc1.
What is the InChIKey of 4-(pyridin-3-ylmethyl)phenol;hydrochloride?
The InChIKey is FLOQYHAVEIGXNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO.ClH/c14-12-5-3-10(4-6-12)8-11-2-1-7-13-9-11;/h1-7,9,14H,8H2;1H.
What are the key properties of 4-(pyridin-3-ylmethyl)phenol;hydrochloride?
4-(pyridin-3-ylmethyl)phenol;hydrochloride has a molecular weight of 221.69 g/mol, XLogP of 2.80, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(pyridin-3-ylmethyl)phenol;hydrochloride is sourced from PubChem (CID 13290136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).