6-methyl-2-[[1-(3-nitrophenyl)ethylamino]methyl]pyridin-3-ol

C15H17N3O3 — CID 78928473

IUPAC6-methyl-2-[[1-(3-nitrophenyl)ethylamino]methyl]pyridin-3-ol
SMILESCc1ccc(O)c(CNC(C)c2cccc([N+](=O)[O-])c2)n1
InChIInChI=1S/C15H17N3O3/c1-10-6-7-15(19)14(17-10)9-16-11(2)12-4-3-5-13(8-12)18(20)21/h3-8,11,16,19H,9H2,1-2H3
InChIKeyJBMPJVSDYIGMJC-UHFFFAOYSA-N
MW287.32 g/mol
LogP2.85
Rot. Bonds5

About 6-methyl-2-[[1-(3-nitrophenyl)ethylamino]methyl]pyridin-3-ol

6-methyl-2-[[1-(3-nitrophenyl)ethylamino]methyl]pyridin-3-ol (PubChem CID 78928473) has the molecular formula C15H17N3O3 and a molecular weight of 287.32 g/mol. Its IUPAC name is 6-methyl-2-[[1-(3-nitrophenyl)ethylamino]methyl]pyridin-3-ol.

Molecular Properties

Compound Name6-methyl-2-[[1-(3-nitrophenyl)ethylamino]methyl]pyridin-3-ol
PubChem CID78928473
Molecular FormulaC15H17N3O3
Molecular Weight287.32 g/mol
Exact Mass287.13
IUPAC Name6-methyl-2-[[1-(3-nitrophenyl)ethylamino]methyl]pyridin-3-ol
SMILESCc1ccc(O)c(CNC(C)c2cccc([N+](=O)[O-])c2)n1
InChIInChI=1S/C15H17N3O3/c1-10-6-7-15(19)14(17-10)9-16-11(2)12-4-3-5-13(8-12)18(20)21/h3-8,11,16,19H,9H2,1-2H3
InChIKeyJBMPJVSDYIGMJC-UHFFFAOYSA-N
XLogP2.85
TPSA88.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[[[(1S)-1-(3-methoxyphenyl)ethyl]amino]methyl]-6-methylpyridin-3-ol
CID 81376228
2-[1-(3-nitrophenyl)ethylamino]ethanol
CID 43089007
N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1-(3-nitrophenyl)ethanamine
CID 54903276
N-[(1R)-1-(3-nitrophenyl)ethyl]propan-1-amine
CID 28608665
N-[(1S)-1-(3-nitrophenyl)ethyl]propan-1-amine
CID 28608661
N-[(3-methylphenyl)methyl]-1-(3-nitrophenyl)ethanamine
CID 43204431
4-[1-(3-nitrophenyl)ethylamino]butan-2-ol
CID 64912592
3-[1-(3-nitrophenyl)ethylamino]propanenitrile
CID 43183235
N-[(4-ethylphenyl)methyl]-1-(3-nitrophenyl)ethanamine
CID 60943582
N'-methyl-N-[1-(3-nitrophenyl)ethyl]-N'-propan-2-ylpropane-1,3-diamine
CID 103716757
N-[1-(3-nitrophenyl)ethyl]butan-1-amine
CID 43180605
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-1-(3-nitrophenyl)ethanamine
CID 115885467

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-[[1-(3-nitrophenyl)ethylamino]methyl]pyridin-3-ol?
The IUPAC name of 6-methyl-2-[[1-(3-nitrophenyl)ethylamino]methyl]pyridin-3-ol (CID 78928473) is 6-methyl-2-[[1-(3-nitrophenyl)ethylamino]methyl]pyridin-3-ol.
What is the SMILES notation for 6-methyl-2-[[1-(3-nitrophenyl)ethylamino]methyl]pyridin-3-ol?
The canonical SMILES for 6-methyl-2-[[1-(3-nitrophenyl)ethylamino]methyl]pyridin-3-ol is Cc1ccc(O)c(CNC(C)c2cccc([N+](=O)[O-])c2)n1.
What is the InChIKey of 6-methyl-2-[[1-(3-nitrophenyl)ethylamino]methyl]pyridin-3-ol?
The InChIKey is JBMPJVSDYIGMJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O3/c1-10-6-7-15(19)14(17-10)9-16-11(2)12-4-3-5-13(8-12)18(20)21/h3-8,11,16,19H,9H2,1-2H3.
What are the key properties of 6-methyl-2-[[1-(3-nitrophenyl)ethylamino]methyl]pyridin-3-ol?
6-methyl-2-[[1-(3-nitrophenyl)ethylamino]methyl]pyridin-3-ol has a molecular weight of 287.32 g/mol, XLogP of 2.85, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-[[1-(3-nitrophenyl)ethylamino]methyl]pyridin-3-ol is sourced from PubChem (CID 78928473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).