2-methyl-2-nitro-1-pyridin-4-ylpropan-1-ol

C9H12N2O3 — CID 12946485

IUPAC2-methyl-2-nitro-1-pyridin-4-ylpropan-1-ol
SMILESCC(C)(C(O)c1ccncc1)[N+](=O)[O-]
InChIInChI=1S/C9H12N2O3/c1-9(2,11(13)14)8(12)7-3-5-10-6-4-7/h3-6,8,12H,1-2H3
InChIKeyCTGIRJFXYDJDAD-UHFFFAOYSA-N
MW196.21 g/mol
LogP1.17
Rot. Bonds3

About 2-methyl-2-nitro-1-pyridin-4-ylpropan-1-ol

2-methyl-2-nitro-1-pyridin-4-ylpropan-1-ol (PubChem CID 12946485) has the molecular formula C9H12N2O3 and a molecular weight of 196.21 g/mol. Its IUPAC name is 2-methyl-2-nitro-1-pyridin-4-ylpropan-1-ol.

Molecular Properties

Compound Name2-methyl-2-nitro-1-pyridin-4-ylpropan-1-ol
PubChem CID12946485
Molecular FormulaC9H12N2O3
Molecular Weight196.21 g/mol
Exact Mass196.08
IUPAC Name2-methyl-2-nitro-1-pyridin-4-ylpropan-1-ol
SMILESCC(C)(C(O)c1ccncc1)[N+](=O)[O-]
InChIInChI=1S/C9H12N2O3/c1-9(2,11(13)14)8(12)7-3-5-10-6-4-7/h3-6,8,12H,1-2H3
InChIKeyCTGIRJFXYDJDAD-UHFFFAOYSA-N
XLogP1.17
TPSA76.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.21
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

(1R)-2-nitro-1-pyridin-4-ylethanol
CID 709368
[(3S)-3-hydroxy-2,2-dimethyl-3-pyridin-4-ylpropyl] acetate
CID 132541644
(1S,2R)-2-nitro-1-pyridin-4-ylpropane-1,3-diol
CID 93003157
2,2-difluoro-1-(4-methylphenyl)-2-nitroethanol
CID 12571896
4-[nitro(phenyl)methyl]pyridine
CID 20978505
(1S)-2,2-dimethyl-1-pyridin-4-ylpropan-1-amine
CID 94424618
(1S)-2-(3-methyl-4-nitroanilino)-1-pyridin-4-ylethanol
CID 97325892
2,2-dimethyl-1-(4-nitrophenyl)propane-1,3-diol
CID 14941347
2,2-difluoro-3-hydroxy-3-pyridin-4-ylpropanehydrazide
CID 14976002
(1R)-2,2-dimethyl-1-pyridin-4-ylpropan-1-amine;hydrochloride
CID 171246376
tert-butyl 2-amino-3-hydroxy-3-pyridin-4-ylpropanoate
CID 165488428
N-tert-butyl-2-[[(1S)-1-pyridin-4-ylethyl]amino]propanamide
CID 81410714

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-nitro-1-pyridin-4-ylpropan-1-ol?
The IUPAC name of 2-methyl-2-nitro-1-pyridin-4-ylpropan-1-ol (CID 12946485) is 2-methyl-2-nitro-1-pyridin-4-ylpropan-1-ol.
What is the SMILES notation for 2-methyl-2-nitro-1-pyridin-4-ylpropan-1-ol?
The canonical SMILES for 2-methyl-2-nitro-1-pyridin-4-ylpropan-1-ol is CC(C)(C(O)c1ccncc1)[N+](=O)[O-].
What is the InChIKey of 2-methyl-2-nitro-1-pyridin-4-ylpropan-1-ol?
The InChIKey is CTGIRJFXYDJDAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O3/c1-9(2,11(13)14)8(12)7-3-5-10-6-4-7/h3-6,8,12H,1-2H3.
What are the key properties of 2-methyl-2-nitro-1-pyridin-4-ylpropan-1-ol?
2-methyl-2-nitro-1-pyridin-4-ylpropan-1-ol has a molecular weight of 196.21 g/mol, XLogP of 1.17, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-nitro-1-pyridin-4-ylpropan-1-ol is sourced from PubChem (CID 12946485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).