2-[2-hydroxypropyl(methyl)amino]-5-nitropyridine-3-carbonitrile

C10H12N4O3 — CID 62335404

IUPAC2-[2-hydroxypropyl(methyl)amino]-5-nitropyridine-3-carbonitrile
SMILESCC(O)CN(C)c1ncc([N+](=O)[O-])cc1C#N
InChIInChI=1S/C10H12N4O3/c1-7(15)6-13(2)10-8(4-11)3-9(5-12-10)14(16)17/h3,5,7,15H,6H2,1-2H3
InChIKeyWBPJVCNESXZVDO-UHFFFAOYSA-N
MW236.23 g/mol
LogP0.68
Rot. Bonds4

About 2-[2-hydroxypropyl(methyl)amino]-5-nitropyridine-3-carbonitrile

2-[2-hydroxypropyl(methyl)amino]-5-nitropyridine-3-carbonitrile (PubChem CID 62335404) has the molecular formula C10H12N4O3 and a molecular weight of 236.23 g/mol. Its IUPAC name is 2-[2-hydroxypropyl(methyl)amino]-5-nitropyridine-3-carbonitrile.

Molecular Properties

Compound Name2-[2-hydroxypropyl(methyl)amino]-5-nitropyridine-3-carbonitrile
PubChem CID62335404
Molecular FormulaC10H12N4O3
Molecular Weight236.23 g/mol
Exact Mass236.09
IUPAC Name2-[2-hydroxypropyl(methyl)amino]-5-nitropyridine-3-carbonitrile
SMILESCC(O)CN(C)c1ncc([N+](=O)[O-])cc1C#N
InChIInChI=1S/C10H12N4O3/c1-7(15)6-13(2)10-8(4-11)3-9(5-12-10)14(16)17/h3,5,7,15H,6H2,1-2H3
InChIKeyWBPJVCNESXZVDO-UHFFFAOYSA-N
XLogP0.68
TPSA103.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.23
LogP ≤ 50.68
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'}

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Related Compounds

2-[3-aminopropyl(methyl)amino]-5-nitropyridine-3-carbonitrile
CID 113285817
2-[1-cyanopropan-2-yl(methyl)amino]-5-nitropyridine-3-carbonitrile
CID 63228520
N'-hydroxy-2-[2-hydroxypropyl(methyl)amino]-5-nitropyridine-3-carboximidamide
CID 55060974
2-[ethyl(2-hydroxyethyl)amino]-5-nitropyridine-3-carbonitrile
CID 60678518
2-(4-hydroxypentylamino)-5-nitropyridine-3-carbonitrile
CID 107269311
5-[2-hydroxypropyl(methyl)amino]-3-nitropyridine-2-carbonitrile
CID 86818327
2-[4-(dimethylamino)butan-2-ylamino]-5-nitropyridine-3-carbonitrile
CID 55037209
2-(1-hydroxypropan-2-ylsulfanyl)-5-nitropyridine-3-carbonitrile
CID 115659083
2-[[1-(dimethylamino)-4-methylpentan-2-yl]amino]-5-nitropyridine-3-carbonitrile
CID 62099704
ethyl 2-[(3-cyano-5-nitro-2-pyridinyl)-ethylamino]acetate
CID 62099895
2-[(3-methyl-2-propan-2-ylbutyl)amino]-5-nitropyridine-3-carbonitrile
CID 102913997
2-(2-aminopropylamino)-5-nitropyridine-3-carbonitrile
CID 63732552

Frequently Asked Questions

What is the IUPAC name of 2-[2-hydroxypropyl(methyl)amino]-5-nitropyridine-3-carbonitrile?
The IUPAC name of 2-[2-hydroxypropyl(methyl)amino]-5-nitropyridine-3-carbonitrile (CID 62335404) is 2-[2-hydroxypropyl(methyl)amino]-5-nitropyridine-3-carbonitrile.
What is the SMILES notation for 2-[2-hydroxypropyl(methyl)amino]-5-nitropyridine-3-carbonitrile?
The canonical SMILES for 2-[2-hydroxypropyl(methyl)amino]-5-nitropyridine-3-carbonitrile is CC(O)CN(C)c1ncc([N+](=O)[O-])cc1C#N.
What is the InChIKey of 2-[2-hydroxypropyl(methyl)amino]-5-nitropyridine-3-carbonitrile?
The InChIKey is WBPJVCNESXZVDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O3/c1-7(15)6-13(2)10-8(4-11)3-9(5-12-10)14(16)17/h3,5,7,15H,6H2,1-2H3.
What are the key properties of 2-[2-hydroxypropyl(methyl)amino]-5-nitropyridine-3-carbonitrile?
2-[2-hydroxypropyl(methyl)amino]-5-nitropyridine-3-carbonitrile has a molecular weight of 236.23 g/mol, XLogP of 0.68, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-hydroxypropyl(methyl)amino]-5-nitropyridine-3-carbonitrile is sourced from PubChem (CID 62335404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).