2-[[(6-chloro-5-methyl-3-pyridinyl)amino]methyl]-6-methylpyridin-3-ol

C13H14ClN3O — CID 103934398

IUPAC2-[[(6-chloro-5-methyl-3-pyridinyl)amino]methyl]-6-methylpyridin-3-ol
SMILESCc1ccc(O)c(CNc2cnc(Cl)c(C)c2)n1
InChIInChI=1S/C13H14ClN3O/c1-8-5-10(6-16-13(8)14)15-7-11-12(18)4-3-9(2)17-11/h3-6,15,18H,7H2,1-2H3
InChIKeyHZPQGOBIYWNZTA-UHFFFAOYSA-N
MW263.73 g/mol
LogP3.06
Rot. Bonds3

About 2-[[(6-chloro-5-methyl-3-pyridinyl)amino]methyl]-6-methylpyridin-3-ol

2-[[(6-chloro-5-methyl-3-pyridinyl)amino]methyl]-6-methylpyridin-3-ol (PubChem CID 103934398) has the molecular formula C13H14ClN3O and a molecular weight of 263.73 g/mol. Its IUPAC name is 2-[[(6-chloro-5-methyl-3-pyridinyl)amino]methyl]-6-methylpyridin-3-ol.

Molecular Properties

Compound Name2-[[(6-chloro-5-methyl-3-pyridinyl)amino]methyl]-6-methylpyridin-3-ol
PubChem CID103934398
Molecular FormulaC13H14ClN3O
Molecular Weight263.73 g/mol
Exact Mass263.08
IUPAC Name2-[[(6-chloro-5-methyl-3-pyridinyl)amino]methyl]-6-methylpyridin-3-ol
SMILESCc1ccc(O)c(CNc2cnc(Cl)c(C)c2)n1
InChIInChI=1S/C13H14ClN3O/c1-8-5-10(6-16-13(8)14)15-7-11-12(18)4-3-9(2)17-11/h3-6,15,18H,7H2,1-2H3
InChIKeyHZPQGOBIYWNZTA-UHFFFAOYSA-N
XLogP3.06
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.73
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

6-methyl-2-[(2,4,6-trichloroanilino)methyl]pyridin-3-ol
CID 79162815
N-[4-[(3-hydroxy-6-methyl-2-pyridinyl)methylamino]-2-methylphenyl]acetamide
CID 78964135
2-[(3,4-difluoroanilino)methyl]-6-methylpyridin-3-ol
CID 79163518
6-methyl-2-[(3-methyl-4-nitroanilino)methyl]pyridin-3-ol
CID 79150682
2-[(4-fluoro-2-methylanilino)methyl]-6-methylpyridin-3-ol
CID 79163164
2-[3-[(3-hydroxy-6-methyl-2-pyridinyl)methylamino]phenoxy]acetamide
CID 79156755
2-[4-[(3-hydroxy-6-methyl-2-pyridinyl)methylamino]phenoxy]acetamide
CID 79156737
2-[(4-bromo-3-methoxyanilino)methyl]-6-methylpyridin-3-ol
CID 79479389
6-methyl-2-[(2,3,5,6-tetrafluoroanilino)methyl]pyridin-3-ol
CID 107643762
6-chloro-5-methyl-N-[(1-methylpyrrol-3-yl)methyl]pyridin-3-amine
CID 115925226
2-[(4-butan-2-ylanilino)methyl]-6-methylpyridin-3-ol
CID 79162732
2-[(3-chloro-2-fluoroanilino)methyl]-6-methylpyridin-3-ol
CID 79163434

Frequently Asked Questions

What is the IUPAC name of 2-[[(6-chloro-5-methyl-3-pyridinyl)amino]methyl]-6-methylpyridin-3-ol?
The IUPAC name of 2-[[(6-chloro-5-methyl-3-pyridinyl)amino]methyl]-6-methylpyridin-3-ol (CID 103934398) is 2-[[(6-chloro-5-methyl-3-pyridinyl)amino]methyl]-6-methylpyridin-3-ol.
What is the SMILES notation for 2-[[(6-chloro-5-methyl-3-pyridinyl)amino]methyl]-6-methylpyridin-3-ol?
The canonical SMILES for 2-[[(6-chloro-5-methyl-3-pyridinyl)amino]methyl]-6-methylpyridin-3-ol is Cc1ccc(O)c(CNc2cnc(Cl)c(C)c2)n1.
What is the InChIKey of 2-[[(6-chloro-5-methyl-3-pyridinyl)amino]methyl]-6-methylpyridin-3-ol?
The InChIKey is HZPQGOBIYWNZTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN3O/c1-8-5-10(6-16-13(8)14)15-7-11-12(18)4-3-9(2)17-11/h3-6,15,18H,7H2,1-2H3.
What are the key properties of 2-[[(6-chloro-5-methyl-3-pyridinyl)amino]methyl]-6-methylpyridin-3-ol?
2-[[(6-chloro-5-methyl-3-pyridinyl)amino]methyl]-6-methylpyridin-3-ol has a molecular weight of 263.73 g/mol, XLogP of 3.06, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(6-chloro-5-methyl-3-pyridinyl)amino]methyl]-6-methylpyridin-3-ol is sourced from PubChem (CID 103934398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).