6-chloro-2-(3-methoxy-4-methylpiperidin-1-yl)-3-nitropyridine

C12H16ClN3O3 — CID 102963203

IUPAC6-chloro-2-(3-methoxy-4-methylpiperidin-1-yl)-3-nitropyridine
SMILESCOC1CN(c2nc(Cl)ccc2[N+](=O)[O-])CCC1C
InChIInChI=1S/C12H16ClN3O3/c1-8-5-6-15(7-10(8)19-2)12-9(16(17)18)3-4-11(13)14-12/h3-4,8,10H,5-7H2,1-2H3
InChIKeyDKDIVTZYXOKXRN-UHFFFAOYSA-N
MW285.73 g/mol
LogP2.50
Rot. Bonds3

About 6-chloro-2-(3-methoxy-4-methylpiperidin-1-yl)-3-nitropyridine

6-chloro-2-(3-methoxy-4-methylpiperidin-1-yl)-3-nitropyridine (PubChem CID 102963203) has the molecular formula C12H16ClN3O3 and a molecular weight of 285.73 g/mol. Its IUPAC name is 6-chloro-2-(3-methoxy-4-methylpiperidin-1-yl)-3-nitropyridine.

Molecular Properties

Compound Name6-chloro-2-(3-methoxy-4-methylpiperidin-1-yl)-3-nitropyridine
PubChem CID102963203
Molecular FormulaC12H16ClN3O3
Molecular Weight285.73 g/mol
Exact Mass285.09
IUPAC Name6-chloro-2-(3-methoxy-4-methylpiperidin-1-yl)-3-nitropyridine
SMILESCOC1CN(c2nc(Cl)ccc2[N+](=O)[O-])CCC1C
InChIInChI=1S/C12H16ClN3O3/c1-8-5-6-15(7-10(8)19-2)12-9(16(17)18)3-4-11(13)14-12/h3-4,8,10H,5-7H2,1-2H3
InChIKeyDKDIVTZYXOKXRN-UHFFFAOYSA-N
XLogP2.50
TPSA68.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.73
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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'}

Analyze 6-chloro-2-(3-methoxy-4-methylpiperidin-1-yl)-3-nitropyridine 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-chloro-2-(3,4-dimethylpyrrolidin-1-yl)-3-nitropyridine
CID 79180812
1-(6-chloro-3-nitro-2-pyridinyl)-N,N-dimethylpyrrolidin-3-amine
CID 55158602
(2S,6R)-4-(6-chloro-3-nitro-2-pyridinyl)-2,6-dimethylmorpholine
CID 104959790
2-chloro-6-(3-methoxy-4-methylpiperidin-1-yl)-4-nitropyridine
CID 102675166
3-(3-methoxy-4-methylpiperidin-1-yl)-4-nitroaniline
CID 122159827
2-(6-chloro-3-nitro-2-pyridinyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one
CID 82856689
1-[4-(chloromethyl)-2-nitrophenyl]-3-methoxy-4-methylpiperidine
CID 102965842
N-[[1-(6-chloro-3-nitro-2-pyridinyl)piperidin-4-yl]methyl]acetamide
CID 102736823
[4-(6-chloro-3-nitro-2-pyridinyl)-6-methylmorpholin-2-yl]methanol
CID 102933958
4-(3-methoxy-4-methylpiperidin-1-yl)-3-nitrobenzoic acid
CID 102958681
1-[4-(bromomethyl)-2-nitrophenyl]-3-methoxy-4-methylpiperidine
CID 107085461
(5-chloro-2-nitrophenyl)-(3-methoxy-4-methylpiperidin-1-yl)methanone
CID 102677692

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-(3-methoxy-4-methylpiperidin-1-yl)-3-nitropyridine?
The IUPAC name of 6-chloro-2-(3-methoxy-4-methylpiperidin-1-yl)-3-nitropyridine (CID 102963203) is 6-chloro-2-(3-methoxy-4-methylpiperidin-1-yl)-3-nitropyridine.
What is the SMILES notation for 6-chloro-2-(3-methoxy-4-methylpiperidin-1-yl)-3-nitropyridine?
The canonical SMILES for 6-chloro-2-(3-methoxy-4-methylpiperidin-1-yl)-3-nitropyridine is COC1CN(c2nc(Cl)ccc2[N+](=O)[O-])CCC1C.
What is the InChIKey of 6-chloro-2-(3-methoxy-4-methylpiperidin-1-yl)-3-nitropyridine?
The InChIKey is DKDIVTZYXOKXRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClN3O3/c1-8-5-6-15(7-10(8)19-2)12-9(16(17)18)3-4-11(13)14-12/h3-4,8,10H,5-7H2,1-2H3.
What are the key properties of 6-chloro-2-(3-methoxy-4-methylpiperidin-1-yl)-3-nitropyridine?
6-chloro-2-(3-methoxy-4-methylpiperidin-1-yl)-3-nitropyridine has a molecular weight of 285.73 g/mol, XLogP of 2.50, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-(3-methoxy-4-methylpiperidin-1-yl)-3-nitropyridine is sourced from PubChem (CID 102963203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).