3-[[(3-methyl-2-pyridinyl)methylamino]methyl]benzene-1,2-diol

C14H16N2O2 — CID 63305798

IUPAC3-[[(3-methyl-2-pyridinyl)methylamino]methyl]benzene-1,2-diol
SMILESCc1cccnc1CNCc1cccc(O)c1O
InChIInChI=1S/C14H16N2O2/c1-10-4-3-7-16-12(10)9-15-8-11-5-2-6-13(17)14(11)18/h2-7,15,17-18H,8-9H2,1H3
InChIKeyFOKQIDQYBQKLIK-UHFFFAOYSA-N
MW244.29 g/mol
LogP2.09
Rot. Bonds4

About 3-[[(3-methyl-2-pyridinyl)methylamino]methyl]benzene-1,2-diol

3-[[(3-methyl-2-pyridinyl)methylamino]methyl]benzene-1,2-diol (PubChem CID 63305798) has the molecular formula C14H16N2O2 and a molecular weight of 244.29 g/mol. Its IUPAC name is 3-[[(3-methyl-2-pyridinyl)methylamino]methyl]benzene-1,2-diol.

Molecular Properties

Compound Name3-[[(3-methyl-2-pyridinyl)methylamino]methyl]benzene-1,2-diol
PubChem CID63305798
Molecular FormulaC14H16N2O2
Molecular Weight244.29 g/mol
Exact Mass244.12
IUPAC Name3-[[(3-methyl-2-pyridinyl)methylamino]methyl]benzene-1,2-diol
SMILESCc1cccnc1CNCc1cccc(O)c1O
InChIInChI=1S/C14H16N2O2/c1-10-4-3-7-16-12(10)9-15-8-11-5-2-6-13(17)14(11)18/h2-7,15,17-18H,8-9H2,1H3
InChIKeyFOKQIDQYBQKLIK-UHFFFAOYSA-N
XLogP2.09
TPSA65.38 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 52.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

NoName_714
CID 135489221
Pyridine, 4-[4,5-dihydroxyphenyl]-
CID 604349
2-({[(Pyridin-2-yl)methyl]amino}methyl)phenol
CID 3924669
Alpha-(2-pyridylmethylene)-O-cresol
CID 642844
(E)-2-methoxy-6-(2-(pyridin-2-yl)vinyl)phenol
CID 135650435
4-(1-Methylpyridin-1-ium-4-yl)benzene-1,2-diol bromide
CID 13417358
3-[2-(2-Pyridinyl)ethyl]phenol
CID 226651
2-(5-Butyl-pyridin-2-yl)-5-methyl-phenol
CID 652844
(2,3-Dimethoxy-benzyl)-pyridin-2-ylmethyl-amine
CID 871284
5-Methyl-2-(pyridin-4-ylmethyliminomethyl)phenol
CID 2312856
2-[[(6-Phenyl-3-pyridinyl)amino]methyl]phenol
CID 122182763
6,7-Isoquinolinediol, 1-methyl-
CID 135511237

Frequently Asked Questions

What is the IUPAC name of 3-[[(3-methyl-2-pyridinyl)methylamino]methyl]benzene-1,2-diol?
The IUPAC name of 3-[[(3-methyl-2-pyridinyl)methylamino]methyl]benzene-1,2-diol (CID 63305798) is 3-[[(3-methyl-2-pyridinyl)methylamino]methyl]benzene-1,2-diol.
What is the SMILES notation for 3-[[(3-methyl-2-pyridinyl)methylamino]methyl]benzene-1,2-diol?
The canonical SMILES for 3-[[(3-methyl-2-pyridinyl)methylamino]methyl]benzene-1,2-diol is Cc1cccnc1CNCc1cccc(O)c1O.
What is the InChIKey of 3-[[(3-methyl-2-pyridinyl)methylamino]methyl]benzene-1,2-diol?
The InChIKey is FOKQIDQYBQKLIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2/c1-10-4-3-7-16-12(10)9-15-8-11-5-2-6-13(17)14(11)18/h2-7,15,17-18H,8-9H2,1H3.
What are the key properties of 3-[[(3-methyl-2-pyridinyl)methylamino]methyl]benzene-1,2-diol?
3-[[(3-methyl-2-pyridinyl)methylamino]methyl]benzene-1,2-diol has a molecular weight of 244.29 g/mol, XLogP of 2.09, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(3-methyl-2-pyridinyl)methylamino]methyl]benzene-1,2-diol is sourced from PubChem (CID 63305798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).