6-(3-hydroxy-4-methylpiperidin-1-yl)-5-nitropyridine-3-carbonitrile

C12H14N4O3 — CID 103473039

IUPAC6-(3-hydroxy-4-methylpiperidin-1-yl)-5-nitropyridine-3-carbonitrile
SMILESCC1CCN(c2ncc(C#N)cc2[N+](=O)[O-])CC1O
InChIInChI=1S/C12H14N4O3/c1-8-2-3-15(7-11(8)17)12-10(16(18)19)4-9(5-13)6-14-12/h4,6,8,11,17H,2-3,7H2,1H3
InChIKeyXZMKZCLSFLBUDI-UHFFFAOYSA-N
MW262.27 g/mol
LogP1.07
Rot. Bonds2

About 6-(3-hydroxy-4-methylpiperidin-1-yl)-5-nitropyridine-3-carbonitrile

6-(3-hydroxy-4-methylpiperidin-1-yl)-5-nitropyridine-3-carbonitrile (PubChem CID 103473039) has the molecular formula C12H14N4O3 and a molecular weight of 262.27 g/mol. Its IUPAC name is 6-(3-hydroxy-4-methylpiperidin-1-yl)-5-nitropyridine-3-carbonitrile.

Molecular Properties

Compound Name6-(3-hydroxy-4-methylpiperidin-1-yl)-5-nitropyridine-3-carbonitrile
PubChem CID103473039
Molecular FormulaC12H14N4O3
Molecular Weight262.27 g/mol
Exact Mass262.11
IUPAC Name6-(3-hydroxy-4-methylpiperidin-1-yl)-5-nitropyridine-3-carbonitrile
SMILESCC1CCN(c2ncc(C#N)cc2[N+](=O)[O-])CC1O
InChIInChI=1S/C12H14N4O3/c1-8-2-3-15(7-11(8)17)12-10(16(18)19)4-9(5-13)6-14-12/h4,6,8,11,17H,2-3,7H2,1H3
InChIKeyXZMKZCLSFLBUDI-UHFFFAOYSA-N
XLogP1.07
TPSA103.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.27
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 6-(3-hydroxy-4-methylpiperidin-1-yl)-5-nitropyridine-3-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-(4-acetylpiperidin-1-yl)-5-nitropyridine-3-carbonitrile
CID 103470116
2-[1-(5-cyano-3-nitro-2-pyridinyl)pyrrolidin-3-yl]acetic acid
CID 103469997
6-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-5-nitropyridine-3-carbonitrile
CID 103472456
2-[1-(5-cyano-3-nitro-2-pyridinyl)azetidin-3-yl]acetic acid
CID 103469970
2-[4-(5-cyano-3-nitro-2-pyridinyl)piperazin-1-yl]acetic acid
CID 103469872
3-amino-1-(5-cyano-3-nitro-2-pyridinyl)pyrrolidine-3-carboxylic acid
CID 107325463
1-(5-methyl-3-nitro-2-pyridinyl)piperidin-4-ol
CID 66281161
methyl 1-(5-cyano-3-nitro-2-pyridinyl)pyrrolidine-2-carboxylate
CID 103473181
6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-5-nitropyridine-3-carbonitrile
CID 103470122
1-(5-cyano-3-nitro-2-pyridinyl)piperazine-2-carboxylic acid
CID 103472391
6-[(2-methylcyclopentyl)amino]-5-nitropyridine-3-carbonitrile
CID 103471641
6-[2-(aminomethyl)piperidin-1-yl]-5-nitropyridine-3-carbonitrile
CID 103472236

Frequently Asked Questions

What is the IUPAC name of 6-(3-hydroxy-4-methylpiperidin-1-yl)-5-nitropyridine-3-carbonitrile?
The IUPAC name of 6-(3-hydroxy-4-methylpiperidin-1-yl)-5-nitropyridine-3-carbonitrile (CID 103473039) is 6-(3-hydroxy-4-methylpiperidin-1-yl)-5-nitropyridine-3-carbonitrile.
What is the SMILES notation for 6-(3-hydroxy-4-methylpiperidin-1-yl)-5-nitropyridine-3-carbonitrile?
The canonical SMILES for 6-(3-hydroxy-4-methylpiperidin-1-yl)-5-nitropyridine-3-carbonitrile is CC1CCN(c2ncc(C#N)cc2[N+](=O)[O-])CC1O.
What is the InChIKey of 6-(3-hydroxy-4-methylpiperidin-1-yl)-5-nitropyridine-3-carbonitrile?
The InChIKey is XZMKZCLSFLBUDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O3/c1-8-2-3-15(7-11(8)17)12-10(16(18)19)4-9(5-13)6-14-12/h4,6,8,11,17H,2-3,7H2,1H3.
What are the key properties of 6-(3-hydroxy-4-methylpiperidin-1-yl)-5-nitropyridine-3-carbonitrile?
6-(3-hydroxy-4-methylpiperidin-1-yl)-5-nitropyridine-3-carbonitrile has a molecular weight of 262.27 g/mol, XLogP of 1.07, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-hydroxy-4-methylpiperidin-1-yl)-5-nitropyridine-3-carbonitrile is sourced from PubChem (CID 103473039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).