[2-[4-(hydroxymethyl)-2-pyridinyl]-4-pyridinyl]methanol

C36H36N6O6 — CID 139176302

IUPAC[2-[4-(hydroxymethyl)-2-pyridinyl]-4-pyridinyl]methanol
SMILESOCc1ccnc(-c2cc(CO)ccn2)c1.OCc1ccnc(-c2cc(CO)ccn2)c1.OCc1ccnc(-c2cc(CO)ccn2)c1
InChIInChI=1S/3C12H12N2O2/c3*15-7-9-1-3-13-11(5-9)12-6-10(8-16)2-4-14-12/h3*1-6,15-16H,7-8H2
InChIKeyJRICTNDBJAVHEK-UHFFFAOYSA-N
MW648.72 g/mol
LogP3.38
Rot. Bonds9

About [2-[4-(hydroxymethyl)-2-pyridinyl]-4-pyridinyl]methanol

[2-[4-(hydroxymethyl)-2-pyridinyl]-4-pyridinyl]methanol (PubChem CID 139176302) has the molecular formula C36H36N6O6 and a molecular weight of 648.72 g/mol. Its IUPAC name is [2-[4-(hydroxymethyl)-2-pyridinyl]-4-pyridinyl]methanol.

Molecular Properties

Compound Name[2-[4-(hydroxymethyl)-2-pyridinyl]-4-pyridinyl]methanol
PubChem CID139176302
Molecular FormulaC36H36N6O6
Molecular Weight648.72 g/mol
Exact Mass648.27
IUPAC Name[2-[4-(hydroxymethyl)-2-pyridinyl]-4-pyridinyl]methanol
SMILESOCc1ccnc(-c2cc(CO)ccn2)c1.OCc1ccnc(-c2cc(CO)ccn2)c1.OCc1ccnc(-c2cc(CO)ccn2)c1
InChIInChI=1S/3C12H12N2O2/c3*15-7-9-1-3-13-11(5-9)12-6-10(8-16)2-4-14-12/h3*1-6,15-16H,7-8H2
InChIKeyJRICTNDBJAVHEK-UHFFFAOYSA-N
XLogP3.38
TPSA198.72 Ų
H-Bond Donors6
H-Bond Acceptors12
Rotatable Bonds9
Heavy Atoms48
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500648.72
LogP ≤ 53.38
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1012

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Related Compounds

4,4'-Bis(hydroxymethyl)-2,2'-bipyridine
CID 11160239
Pyrinoline
CID 3052765
(1R)-2,2-dipyridin-3-yl-1-[2-[3-(trifluoromethyl)phenyl]-3-pyridinyl]ethanol
CID 137651426
4-Hydroxymethyl-4'-methyl-2,2'-bipyridyl
CID 2754750
[3,5-Bis[[4-(1-ethylpyridin-1-ium-4-yl)pyridin-1-ium-1-yl]methyl]phenyl]methanol
CID 46889626
Abametapir hydroxyl
CID 67897559
Nickel (II) 2,6-diacetylpyridine bis(isonicotinoylhydrazonate)
CID 9575373
[2,2'-Bipyridine]-3,3'-diyldimethanol
CID 12061683
[6-(Pyridin-2-yl)pyridin-3-yl]methanol
CID 10352407
2-[3,6-Di(pyridin-2-yl)pyridazin-4-yl]ethan-1-ol
CID 11403184
[2,2':6',2''-Terpyridine]-4'-methanol
CID 15899045
4-(1-Hydroxyethyl)-3,6-di(2-pyridyl)pyridazine
CID 68529387

Frequently Asked Questions

What is the IUPAC name of [2-[4-(hydroxymethyl)-2-pyridinyl]-4-pyridinyl]methanol?
The IUPAC name of [2-[4-(hydroxymethyl)-2-pyridinyl]-4-pyridinyl]methanol (CID 139176302) is [2-[4-(hydroxymethyl)-2-pyridinyl]-4-pyridinyl]methanol.
What is the SMILES notation for [2-[4-(hydroxymethyl)-2-pyridinyl]-4-pyridinyl]methanol?
The canonical SMILES for [2-[4-(hydroxymethyl)-2-pyridinyl]-4-pyridinyl]methanol is OCc1ccnc(-c2cc(CO)ccn2)c1.OCc1ccnc(-c2cc(CO)ccn2)c1.OCc1ccnc(-c2cc(CO)ccn2)c1.
What is the InChIKey of [2-[4-(hydroxymethyl)-2-pyridinyl]-4-pyridinyl]methanol?
The InChIKey is JRICTNDBJAVHEK-UHFFFAOYSA-N. The full InChI is InChI=1S/3C12H12N2O2/c3*15-7-9-1-3-13-11(5-9)12-6-10(8-16)2-4-14-12/h3*1-6,15-16H,7-8H2.
What are the key properties of [2-[4-(hydroxymethyl)-2-pyridinyl]-4-pyridinyl]methanol?
[2-[4-(hydroxymethyl)-2-pyridinyl]-4-pyridinyl]methanol has a molecular weight of 648.72 g/mol, XLogP of 3.38, 9 rotatable bonds, 6 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[4-(hydroxymethyl)-2-pyridinyl]-4-pyridinyl]methanol is sourced from PubChem (CID 139176302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).