2-[1-[6-(methylamino)-3-nitro-2-pyridinyl]pyrrolidin-3-yl]ethanol

C12H18N4O3 — CID 114802883

IUPAC2-[1-[6-(methylamino)-3-nitro-2-pyridinyl]pyrrolidin-3-yl]ethanol
SMILESCNc1ccc([N+](=O)[O-])c(N2CCC(CCO)C2)n1
InChIInChI=1S/C12H18N4O3/c1-13-11-3-2-10(16(18)19)12(14-11)15-6-4-9(8-15)5-7-17/h2-3,9,17H,4-8H2,1H3,(H,13,14)
InChIKeyPEXYGOYTQRLALJ-UHFFFAOYSA-N
MW266.30 g/mol
LogP1.24
Rot. Bonds5

About 2-[1-[6-(methylamino)-3-nitro-2-pyridinyl]pyrrolidin-3-yl]ethanol

2-[1-[6-(methylamino)-3-nitro-2-pyridinyl]pyrrolidin-3-yl]ethanol (PubChem CID 114802883) has the molecular formula C12H18N4O3 and a molecular weight of 266.30 g/mol. Its IUPAC name is 2-[1-[6-(methylamino)-3-nitro-2-pyridinyl]pyrrolidin-3-yl]ethanol.

Molecular Properties

Compound Name2-[1-[6-(methylamino)-3-nitro-2-pyridinyl]pyrrolidin-3-yl]ethanol
PubChem CID114802883
Molecular FormulaC12H18N4O3
Molecular Weight266.30 g/mol
Exact Mass266.14
IUPAC Name2-[1-[6-(methylamino)-3-nitro-2-pyridinyl]pyrrolidin-3-yl]ethanol
SMILESCNc1ccc([N+](=O)[O-])c(N2CCC(CCO)C2)n1
InChIInChI=1S/C12H18N4O3/c1-13-11-3-2-10(16(18)19)12(14-11)15-6-4-9(8-15)5-7-17/h2-3,9,17H,4-8H2,1H3,(H,13,14)
InChIKeyPEXYGOYTQRLALJ-UHFFFAOYSA-N
XLogP1.24
TPSA91.53 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 51.24
H-Bond Donors ≤ 52
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

6-[3-(methoxymethyl)pyrrolidin-1-yl]-N-methyl-5-nitropyridin-2-amine
CID 80844291
N-ethyl-6-[3-(methoxymethyl)pyrrolidin-1-yl]-5-nitropyridin-2-amine
CID 80844959
N-methyl-5-nitro-6-[4-(trifluoromethyl)piperidin-1-yl]pyridin-2-amine
CID 80829989
6-(4-cyclopropylpiperazin-1-yl)-N-methyl-5-nitropyridin-2-amine
CID 80779221
N-methyl-5-nitro-6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pyridin-2-amine
CID 80851114
6-(3,5-dimethylpiperidin-1-yl)-N-methyl-5-nitropyridin-2-amine
CID 80766974
6-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-N-methyl-5-nitropyridin-2-amine
CID 80836942
[1-[6-(methylamino)-3-nitro-2-pyridinyl]pyrrolidin-2-yl]methanol
CID 80794786
1-[6-(ethylamino)-3-nitro-2-pyridinyl]pyrrolidin-3-ol
CID 80823438
[1-(6-methyl-3-nitro-2-pyridinyl)piperidin-3-yl]methanol
CID 81137665
[6,6-dimethyl-4-[6-(methylamino)-3-nitro-2-pyridinyl]morpholin-2-yl]methanol
CID 114782729
2-[1-(3-nitro-2-pyridinyl)piperidin-3-yl]ethanol
CID 55064569

Frequently Asked Questions

What is the IUPAC name of 2-[1-[6-(methylamino)-3-nitro-2-pyridinyl]pyrrolidin-3-yl]ethanol?
The IUPAC name of 2-[1-[6-(methylamino)-3-nitro-2-pyridinyl]pyrrolidin-3-yl]ethanol (CID 114802883) is 2-[1-[6-(methylamino)-3-nitro-2-pyridinyl]pyrrolidin-3-yl]ethanol.
What is the SMILES notation for 2-[1-[6-(methylamino)-3-nitro-2-pyridinyl]pyrrolidin-3-yl]ethanol?
The canonical SMILES for 2-[1-[6-(methylamino)-3-nitro-2-pyridinyl]pyrrolidin-3-yl]ethanol is CNc1ccc([N+](=O)[O-])c(N2CCC(CCO)C2)n1.
What is the InChIKey of 2-[1-[6-(methylamino)-3-nitro-2-pyridinyl]pyrrolidin-3-yl]ethanol?
The InChIKey is PEXYGOYTQRLALJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O3/c1-13-11-3-2-10(16(18)19)12(14-11)15-6-4-9(8-15)5-7-17/h2-3,9,17H,4-8H2,1H3,(H,13,14).
What are the key properties of 2-[1-[6-(methylamino)-3-nitro-2-pyridinyl]pyrrolidin-3-yl]ethanol?
2-[1-[6-(methylamino)-3-nitro-2-pyridinyl]pyrrolidin-3-yl]ethanol has a molecular weight of 266.30 g/mol, XLogP of 1.24, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[6-(methylamino)-3-nitro-2-pyridinyl]pyrrolidin-3-yl]ethanol is sourced from PubChem (CID 114802883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).