4-methyl-3-(3-nitro-4-pyridinyl)pentan-2-ol

C11H16N2O3 — CID 63201464

IUPAC4-methyl-3-(3-nitro-4-pyridinyl)pentan-2-ol
SMILESCC(C)C(c1ccncc1[N+](=O)[O-])C(C)O
InChIInChI=1S/C11H16N2O3/c1-7(2)11(8(3)14)9-4-5-12-6-10(9)13(15)16/h4-8,11,14H,1-3H3
InChIKeyVJPUYEVVCWOZDJ-UHFFFAOYSA-N
MW224.26 g/mol
LogP2.11
Rot. Bonds4

About 4-methyl-3-(3-nitro-4-pyridinyl)pentan-2-ol

4-methyl-3-(3-nitro-4-pyridinyl)pentan-2-ol (PubChem CID 63201464) has the molecular formula C11H16N2O3 and a molecular weight of 224.26 g/mol. Its IUPAC name is 4-methyl-3-(3-nitro-4-pyridinyl)pentan-2-ol.

Molecular Properties

Compound Name4-methyl-3-(3-nitro-4-pyridinyl)pentan-2-ol
PubChem CID63201464
Molecular FormulaC11H16N2O3
Molecular Weight224.26 g/mol
Exact Mass224.12
IUPAC Name4-methyl-3-(3-nitro-4-pyridinyl)pentan-2-ol
SMILESCC(C)C(c1ccncc1[N+](=O)[O-])C(C)O
InChIInChI=1S/C11H16N2O3/c1-7(2)11(8(3)14)9-4-5-12-6-10(9)13(15)16/h4-8,11,14H,1-3H3
InChIKeyVJPUYEVVCWOZDJ-UHFFFAOYSA-N
XLogP2.11
TPSA76.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 52.11
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-(3-nitro-4-pyridinyl)pentan-3-amine
CID 63548618
3-(3-nitro-4-pyridinyl)pentan-2-one
CID 63196616
3-(8-nitroisoquinolin-5-yl)butan-2-ol
CID 55161828
1-(5-nitroisoquinolin-8-yl)ethanol
CID 167328366
4-(2-methylpropyl)-3-nitropyridine
CID 165439022
3-(8-nitroisoquinolin-5-yl)pentan-2-ol
CID 63201328
methoxymethane;4-methoxy-3-nitropyridine
CID 155689380
2-(3-nitro-4-pyridinyl)-3-phenylpropanoic acid
CID 104571521
3-[(3-nitro-4-pyridinyl)-propan-2-ylamino]propan-1-ol
CID 61145730
4-methyl-3-(8-nitroisoquinolin-5-yl)pentan-2-one
CID 63196807
4-methyl-3-[(3-nitro-4-pyridinyl)amino]pentan-1-ol
CID 103703895
3-[(3-nitro-4-pyridinyl)sulfanyl]butan-1-ol
CID 66136072

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-(3-nitro-4-pyridinyl)pentan-2-ol?
The IUPAC name of 4-methyl-3-(3-nitro-4-pyridinyl)pentan-2-ol (CID 63201464) is 4-methyl-3-(3-nitro-4-pyridinyl)pentan-2-ol.
What is the SMILES notation for 4-methyl-3-(3-nitro-4-pyridinyl)pentan-2-ol?
The canonical SMILES for 4-methyl-3-(3-nitro-4-pyridinyl)pentan-2-ol is CC(C)C(c1ccncc1[N+](=O)[O-])C(C)O.
What is the InChIKey of 4-methyl-3-(3-nitro-4-pyridinyl)pentan-2-ol?
The InChIKey is VJPUYEVVCWOZDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3/c1-7(2)11(8(3)14)9-4-5-12-6-10(9)13(15)16/h4-8,11,14H,1-3H3.
What are the key properties of 4-methyl-3-(3-nitro-4-pyridinyl)pentan-2-ol?
4-methyl-3-(3-nitro-4-pyridinyl)pentan-2-ol has a molecular weight of 224.26 g/mol, XLogP of 2.11, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-(3-nitro-4-pyridinyl)pentan-2-ol is sourced from PubChem (CID 63201464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).