3-methyl-1-(3-nitro-2-pyridinyl)butan-2-ol

C10H14N2O3 — CID 63200954

IUPAC3-methyl-1-(3-nitro-2-pyridinyl)butan-2-ol
SMILESCC(C)C(O)Cc1ncccc1[N+](=O)[O-]
InChIInChI=1S/C10H14N2O3/c1-7(2)10(13)6-8-9(12(14)15)4-3-5-11-8/h3-5,7,10,13H,6H2,1-2H3
InChIKeyLEZMZRDALTWJAD-UHFFFAOYSA-N
MW210.23 g/mol
LogP1.55
Rot. Bonds4

About 3-methyl-1-(3-nitro-2-pyridinyl)butan-2-ol

3-methyl-1-(3-nitro-2-pyridinyl)butan-2-ol (PubChem CID 63200954) has the molecular formula C10H14N2O3 and a molecular weight of 210.23 g/mol. Its IUPAC name is 3-methyl-1-(3-nitro-2-pyridinyl)butan-2-ol.

Molecular Properties

Compound Name3-methyl-1-(3-nitro-2-pyridinyl)butan-2-ol
PubChem CID63200954
Molecular FormulaC10H14N2O3
Molecular Weight210.23 g/mol
Exact Mass210.10
IUPAC Name3-methyl-1-(3-nitro-2-pyridinyl)butan-2-ol
SMILESCC(C)C(O)Cc1ncccc1[N+](=O)[O-]
InChIInChI=1S/C10H14N2O3/c1-7(2)10(13)6-8-9(12(14)15)4-3-5-11-8/h3-5,7,10,13H,6H2,1-2H3
InChIKeyLEZMZRDALTWJAD-UHFFFAOYSA-N
XLogP1.55
TPSA76.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.23
LogP ≤ 51.55
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

2-(2-chloro-2-cyclopropylethyl)-3-nitropyridine
CID 63353206
2-(2-bromo-2-phenylethyl)-3-nitropyridine
CID 63203042
3-methyl-1-(2-methyl-6-nitrophenyl)butan-2-ol
CID 115554163
(3-nitro-2-pyridinyl)methylphosphonic acid
CID 69136226
1,1,1-trifluoro-3-(3-nitro-2-pyridinyl)propan-2-one
CID 117047413
4-(3-nitro-2-pyridinyl)butanamide
CID 163212150
3-methyl-1-(5-methyl-4-nitro-2-pyridinyl)butan-2-ol
CID 83271984
4-methyl-3-(3-nitro-2-pyridinyl)pentan-2-amine
CID 63197530
2-[(3,5-difluorophenyl)methyl]-3-nitropyridine
CID 58459200
N-(2-methylpropyl)-3-nitropyridin-2-amine;hydrochloride
CID 163342723
2-methyl-3-[(3-nitro-2-pyridinyl)amino]propanoic acid
CID 62675905
(3-nitro-2-pyridinyl) 2-hydroxybutanoate
CID 57203374

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(3-nitro-2-pyridinyl)butan-2-ol?
The IUPAC name of 3-methyl-1-(3-nitro-2-pyridinyl)butan-2-ol (CID 63200954) is 3-methyl-1-(3-nitro-2-pyridinyl)butan-2-ol.
What is the SMILES notation for 3-methyl-1-(3-nitro-2-pyridinyl)butan-2-ol?
The canonical SMILES for 3-methyl-1-(3-nitro-2-pyridinyl)butan-2-ol is CC(C)C(O)Cc1ncccc1[N+](=O)[O-].
What is the InChIKey of 3-methyl-1-(3-nitro-2-pyridinyl)butan-2-ol?
The InChIKey is LEZMZRDALTWJAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O3/c1-7(2)10(13)6-8-9(12(14)15)4-3-5-11-8/h3-5,7,10,13H,6H2,1-2H3.
What are the key properties of 3-methyl-1-(3-nitro-2-pyridinyl)butan-2-ol?
3-methyl-1-(3-nitro-2-pyridinyl)butan-2-ol has a molecular weight of 210.23 g/mol, XLogP of 1.55, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(3-nitro-2-pyridinyl)butan-2-ol is sourced from PubChem (CID 63200954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).