[4-(6-chloro-3-nitro-2-pyridinyl)-6-methylmorpholin-2-yl]methanol

C11H14ClN3O4 — CID 102933958

IUPAC[4-(6-chloro-3-nitro-2-pyridinyl)-6-methylmorpholin-2-yl]methanol
SMILESCC1CN(c2nc(Cl)ccc2[N+](=O)[O-])CC(CO)O1
InChIInChI=1S/C11H14ClN3O4/c1-7-4-14(5-8(6-16)19-7)11-9(15(17)18)2-3-10(12)13-11/h2-3,7-8,16H,4-6H2,1H3
InChIKeyRXGVZQZZVZNMPI-UHFFFAOYSA-N
MW287.70 g/mol
LogP1.23
Rot. Bonds3

About [4-(6-chloro-3-nitro-2-pyridinyl)-6-methylmorpholin-2-yl]methanol

[4-(6-chloro-3-nitro-2-pyridinyl)-6-methylmorpholin-2-yl]methanol (PubChem CID 102933958) has the molecular formula C11H14ClN3O4 and a molecular weight of 287.70 g/mol. Its IUPAC name is [4-(6-chloro-3-nitro-2-pyridinyl)-6-methylmorpholin-2-yl]methanol.

Molecular Properties

Compound Name[4-(6-chloro-3-nitro-2-pyridinyl)-6-methylmorpholin-2-yl]methanol
PubChem CID102933958
Molecular FormulaC11H14ClN3O4
Molecular Weight287.70 g/mol
Exact Mass287.07
IUPAC Name[4-(6-chloro-3-nitro-2-pyridinyl)-6-methylmorpholin-2-yl]methanol
SMILESCC1CN(c2nc(Cl)ccc2[N+](=O)[O-])CC(CO)O1
InChIInChI=1S/C11H14ClN3O4/c1-7-4-14(5-8(6-16)19-7)11-9(15(17)18)2-3-10(12)13-11/h2-3,7-8,16H,4-6H2,1H3
InChIKeyRXGVZQZZVZNMPI-UHFFFAOYSA-N
XLogP1.23
TPSA88.73 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.70
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(2S,6R)-4-(6-chloro-3-nitro-2-pyridinyl)-2,6-dimethylmorpholine
CID 104959790
6-chloro-2-(3,4-dimethylpyrrolidin-1-yl)-3-nitropyridine
CID 79180812
[6-methyl-4-(5-methyl-2-nitrophenyl)morpholin-2-yl]methanol
CID 102935110
[6-methyl-4-(4-methyl-3-nitrophenyl)morpholin-2-yl]methanol
CID 102935281
[4-[4-(hydroxymethyl)-2-nitrophenyl]-6-methylmorpholin-2-yl]methanol
CID 102933448
[6-methyl-4-(4-nitrophenyl)morpholin-2-yl]methanol
CID 102935166
[4-(5-methoxy-2-nitrophenyl)-6-methylmorpholin-2-yl]methanol
CID 102935192
5-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-2-nitrobenzoic acid
CID 102933153
6-chloro-2-(3-methoxy-4-methylpiperidin-1-yl)-3-nitropyridine
CID 102963203
[4-(3,6-dichloro-1,2,4-triazin-5-yl)-6-methylmorpholin-2-yl]methanol
CID 102933968
1-(6-chloro-3-nitro-2-pyridinyl)-N,N-dimethylpyrrolidin-3-amine
CID 55158602
[4-[6-(ethylamino)-5-nitropyrimidin-4-yl]-6-methylmorpholin-2-yl]methanol
CID 102939074

Frequently Asked Questions

What is the IUPAC name of [4-(6-chloro-3-nitro-2-pyridinyl)-6-methylmorpholin-2-yl]methanol?
The IUPAC name of [4-(6-chloro-3-nitro-2-pyridinyl)-6-methylmorpholin-2-yl]methanol (CID 102933958) is [4-(6-chloro-3-nitro-2-pyridinyl)-6-methylmorpholin-2-yl]methanol.
What is the SMILES notation for [4-(6-chloro-3-nitro-2-pyridinyl)-6-methylmorpholin-2-yl]methanol?
The canonical SMILES for [4-(6-chloro-3-nitro-2-pyridinyl)-6-methylmorpholin-2-yl]methanol is CC1CN(c2nc(Cl)ccc2[N+](=O)[O-])CC(CO)O1.
What is the InChIKey of [4-(6-chloro-3-nitro-2-pyridinyl)-6-methylmorpholin-2-yl]methanol?
The InChIKey is RXGVZQZZVZNMPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClN3O4/c1-7-4-14(5-8(6-16)19-7)11-9(15(17)18)2-3-10(12)13-11/h2-3,7-8,16H,4-6H2,1H3.
What are the key properties of [4-(6-chloro-3-nitro-2-pyridinyl)-6-methylmorpholin-2-yl]methanol?
[4-(6-chloro-3-nitro-2-pyridinyl)-6-methylmorpholin-2-yl]methanol has a molecular weight of 287.70 g/mol, XLogP of 1.23, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(6-chloro-3-nitro-2-pyridinyl)-6-methylmorpholin-2-yl]methanol is sourced from PubChem (CID 102933958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).