6-[[(3-nitrophenyl)methylamino]methyl]pyridin-3-ol

C13H13N3O3 — CID 79794001

IUPAC6-[[(3-nitrophenyl)methylamino]methyl]pyridin-3-ol
SMILESO=[N+]([O-])c1cccc(CNCc2ccc(O)cn2)c1
InChIInChI=1S/C13H13N3O3/c17-13-5-4-11(15-9-13)8-14-7-10-2-1-3-12(6-10)16(18)19/h1-6,9,14,17H,7-8H2
InChIKeyRSHBWCMYACZBRS-UHFFFAOYSA-N
MW259.26 g/mol
LogP1.99
Rot. Bonds5

About 6-[[(3-nitrophenyl)methylamino]methyl]pyridin-3-ol

6-[[(3-nitrophenyl)methylamino]methyl]pyridin-3-ol (PubChem CID 79794001) has the molecular formula C13H13N3O3 and a molecular weight of 259.26 g/mol. Its IUPAC name is 6-[[(3-nitrophenyl)methylamino]methyl]pyridin-3-ol.

Molecular Properties

Compound Name6-[[(3-nitrophenyl)methylamino]methyl]pyridin-3-ol
PubChem CID79794001
Molecular FormulaC13H13N3O3
Molecular Weight259.26 g/mol
Exact Mass259.10
IUPAC Name6-[[(3-nitrophenyl)methylamino]methyl]pyridin-3-ol
SMILESO=[N+]([O-])c1cccc(CNCc2ccc(O)cn2)c1
InChIInChI=1S/C13H13N3O3/c17-13-5-4-11(15-9-13)8-14-7-10-2-1-3-12(6-10)16(18)19/h1-6,9,14,17H,7-8H2
InChIKeyRSHBWCMYACZBRS-UHFFFAOYSA-N
XLogP1.99
TPSA88.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.26
LogP ≤ 51.99
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

N-[(3-nitrophenyl)methyl]-2-(1,3-thiazol-4-yl)ethanamine
CID 63829172
N-[(2-methyl-1H-imidazol-5-yl)methyl]-1-(3-nitrophenyl)methanamine
CID 62741635
[2-[[(3-nitrophenyl)methylamino]methyl]phenyl]methanol
CID 110906061
N-(1H-imidazol-2-ylmethyl)-1-(3-nitrophenyl)methanamine
CID 62504703
N-[(3,4-dibromophenyl)methyl]-1-(3-nitrophenyl)methanamine
CID 115693133
2-methyl-N-[(3-nitrophenyl)methyl]prop-2-en-1-amine
CID 62504529
(2R)-3-[(3-nitrophenyl)methylamino]propane-1,2-diol
CID 96908585
N-[(2-bromophenyl)methyl]-1-(3-nitrophenyl)methanamine
CID 61401551
N-[(4-bromo-3-chlorophenyl)methyl]-1-(3-nitrophenyl)methanamine
CID 103581646
N-(furan-2-ylmethyl)-1-(3-nitrophenyl)methanamine;hydrochloride
CID 17331715
N-[(5-methylfuran-2-yl)methyl]-1-(3-nitrophenyl)methanamine
CID 62504349
N-methyl-1-(3-nitrophenyl)methanamine;hydrochloride
CID 522947

Frequently Asked Questions

What is the IUPAC name of 6-[[(3-nitrophenyl)methylamino]methyl]pyridin-3-ol?
The IUPAC name of 6-[[(3-nitrophenyl)methylamino]methyl]pyridin-3-ol (CID 79794001) is 6-[[(3-nitrophenyl)methylamino]methyl]pyridin-3-ol.
What is the SMILES notation for 6-[[(3-nitrophenyl)methylamino]methyl]pyridin-3-ol?
The canonical SMILES for 6-[[(3-nitrophenyl)methylamino]methyl]pyridin-3-ol is O=[N+]([O-])c1cccc(CNCc2ccc(O)cn2)c1.
What is the InChIKey of 6-[[(3-nitrophenyl)methylamino]methyl]pyridin-3-ol?
The InChIKey is RSHBWCMYACZBRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O3/c17-13-5-4-11(15-9-13)8-14-7-10-2-1-3-12(6-10)16(18)19/h1-6,9,14,17H,7-8H2.
What are the key properties of 6-[[(3-nitrophenyl)methylamino]methyl]pyridin-3-ol?
6-[[(3-nitrophenyl)methylamino]methyl]pyridin-3-ol has a molecular weight of 259.26 g/mol, XLogP of 1.99, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[(3-nitrophenyl)methylamino]methyl]pyridin-3-ol is sourced from PubChem (CID 79794001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).