2-[[[2-(3,5-dichlorophenyl)-2-hydroxyethyl]amino]methyl]-6-methylpyridin-3-ol

C15H16Cl2N2O2 — CID 111427334

IUPAC2-[[[2-(3,5-dichlorophenyl)-2-hydroxyethyl]amino]methyl]-6-methylpyridin-3-ol
SMILESCc1ccc(O)c(CNCC(O)c2cc(Cl)cc(Cl)c2)n1
InChIInChI=1S/C15H16Cl2N2O2/c1-9-2-3-14(20)13(19-9)7-18-8-15(21)10-4-11(16)6-12(17)5-10/h2-6,15,18,20-21H,7-8H2,1H3
InChIKeyVPTOVAXVASCAJW-UHFFFAOYSA-N
MW327.21 g/mol
LogP3.23
Rot. Bonds5

About 2-[[[2-(3,5-dichlorophenyl)-2-hydroxyethyl]amino]methyl]-6-methylpyridin-3-ol

2-[[[2-(3,5-dichlorophenyl)-2-hydroxyethyl]amino]methyl]-6-methylpyridin-3-ol (PubChem CID 111427334) has the molecular formula C15H16Cl2N2O2 and a molecular weight of 327.21 g/mol. Its IUPAC name is 2-[[[2-(3,5-dichlorophenyl)-2-hydroxyethyl]amino]methyl]-6-methylpyridin-3-ol.

Molecular Properties

Compound Name2-[[[2-(3,5-dichlorophenyl)-2-hydroxyethyl]amino]methyl]-6-methylpyridin-3-ol
PubChem CID111427334
Molecular FormulaC15H16Cl2N2O2
Molecular Weight327.21 g/mol
Exact Mass326.06
IUPAC Name2-[[[2-(3,5-dichlorophenyl)-2-hydroxyethyl]amino]methyl]-6-methylpyridin-3-ol
SMILESCc1ccc(O)c(CNCC(O)c2cc(Cl)cc(Cl)c2)n1
InChIInChI=1S/C15H16Cl2N2O2/c1-9-2-3-14(20)13(19-9)7-18-8-15(21)10-4-11(16)6-12(17)5-10/h2-6,15,18,20-21H,7-8H2,1H3
InChIKeyVPTOVAXVASCAJW-UHFFFAOYSA-N
XLogP3.23
TPSA65.38 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.21
LogP ≤ 53.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2-hydroxyethylamino)methyl]-6-methylpyridin-3-ol
CID 78967327
2-[[(4-hydroxy-2-methylbutyl)amino]methyl]-6-methylpyridin-3-ol
CID 79033166
2-[[(2-hydroxy-4-methylpentyl)amino]methyl]-6-methylpyridin-3-ol
CID 103645101
1-(3,5-dichlorophenyl)-2-[(4,6-dimethylpyrimidin-2-yl)amino]ethanol
CID 133308213
6-methyl-2-[(2,4,6-trichloroanilino)methyl]pyridin-3-ol
CID 79162815
2-[(2-ethylhexylamino)methyl]-6-methylpyridin-3-ol
CID 78928568
2-[[[3-(hydroxymethyl)phenyl]methylamino]methyl]-6-methylpyridin-3-ol
CID 103648527
1-(3,5-dichlorophenyl)-2-[(1,5-dimethylpyrazol-4-yl)methylamino]ethanol
CID 109482027
2-[[[3-(cyclopropylmethoxy)-2-hydroxypropyl]amino]methyl]-6-methylpyridin-3-ol
CID 110935652
2-[(2-bromoprop-2-enylamino)methyl]-6-methylpyridin-3-ol
CID 115614759
1-(3,5-dichlorophenyl)-2-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methylamino]ethanol
CID 111427348
6-methyl-2-[[(3-methylphenyl)methylamino]methyl]pyridin-3-ol
CID 78928518

Frequently Asked Questions

What is the IUPAC name of 2-[[[2-(3,5-dichlorophenyl)-2-hydroxyethyl]amino]methyl]-6-methylpyridin-3-ol?
The IUPAC name of 2-[[[2-(3,5-dichlorophenyl)-2-hydroxyethyl]amino]methyl]-6-methylpyridin-3-ol (CID 111427334) is 2-[[[2-(3,5-dichlorophenyl)-2-hydroxyethyl]amino]methyl]-6-methylpyridin-3-ol.
What is the SMILES notation for 2-[[[2-(3,5-dichlorophenyl)-2-hydroxyethyl]amino]methyl]-6-methylpyridin-3-ol?
The canonical SMILES for 2-[[[2-(3,5-dichlorophenyl)-2-hydroxyethyl]amino]methyl]-6-methylpyridin-3-ol is Cc1ccc(O)c(CNCC(O)c2cc(Cl)cc(Cl)c2)n1.
What is the InChIKey of 2-[[[2-(3,5-dichlorophenyl)-2-hydroxyethyl]amino]methyl]-6-methylpyridin-3-ol?
The InChIKey is VPTOVAXVASCAJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16Cl2N2O2/c1-9-2-3-14(20)13(19-9)7-18-8-15(21)10-4-11(16)6-12(17)5-10/h2-6,15,18,20-21H,7-8H2,1H3.
What are the key properties of 2-[[[2-(3,5-dichlorophenyl)-2-hydroxyethyl]amino]methyl]-6-methylpyridin-3-ol?
2-[[[2-(3,5-dichlorophenyl)-2-hydroxyethyl]amino]methyl]-6-methylpyridin-3-ol has a molecular weight of 327.21 g/mol, XLogP of 3.23, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[[2-(3,5-dichlorophenyl)-2-hydroxyethyl]amino]methyl]-6-methylpyridin-3-ol is sourced from PubChem (CID 111427334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).