1-(3-chloro-5-nitro-2-pyridinyl)-3-methylpiperidin-3-ol

C11H14ClN3O3 — CID 103878214

IUPAC1-(3-chloro-5-nitro-2-pyridinyl)-3-methylpiperidin-3-ol
SMILESCC1(O)CCCN(c2ncc([N+](=O)[O-])cc2Cl)C1
InChIInChI=1S/C11H14ClN3O3/c1-11(16)3-2-4-14(7-11)10-9(12)5-8(6-13-10)15(17)18/h5-6,16H,2-4,7H2,1H3
InChIKeyGPWWZISYDZSVAU-UHFFFAOYSA-N
MW271.70 g/mol
LogP1.99
Rot. Bonds2

About 1-(3-chloro-5-nitro-2-pyridinyl)-3-methylpiperidin-3-ol

1-(3-chloro-5-nitro-2-pyridinyl)-3-methylpiperidin-3-ol (PubChem CID 103878214) has the molecular formula C11H14ClN3O3 and a molecular weight of 271.70 g/mol. Its IUPAC name is 1-(3-chloro-5-nitro-2-pyridinyl)-3-methylpiperidin-3-ol.

Molecular Properties

Compound Name1-(3-chloro-5-nitro-2-pyridinyl)-3-methylpiperidin-3-ol
PubChem CID103878214
Molecular FormulaC11H14ClN3O3
Molecular Weight271.70 g/mol
Exact Mass271.07
IUPAC Name1-(3-chloro-5-nitro-2-pyridinyl)-3-methylpiperidin-3-ol
SMILESCC1(O)CCCN(c2ncc([N+](=O)[O-])cc2Cl)C1
InChIInChI=1S/C11H14ClN3O3/c1-11(16)3-2-4-14(7-11)10-9(12)5-8(6-13-10)15(17)18/h5-6,16H,2-4,7H2,1H3
InChIKeyGPWWZISYDZSVAU-UHFFFAOYSA-N
XLogP1.99
TPSA79.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.70
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

1-(2-chloro-4-nitrophenyl)-3-methylpiperidin-3-ol
CID 113343728
1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-3-methylpiperidin-3-ol
CID 115871414
2-(3-hydroxy-3-methylpyrrolidin-1-yl)-5-nitropyridine-3-carboxamide
CID 133344472
3-methyl-1-(5-nitro-1,3-thiazol-2-yl)piperidin-3-ol
CID 102771643
1-(2-chloro-6-methyl-5-nitropyrimidin-4-yl)-3-methylpiperidin-3-ol
CID 114043436
1-(2,4-dinitrophenyl)-3-methylpiperidin-3-ol
CID 115871374
4-(3-chloro-5-nitro-2-pyridinyl)-2-methylthiomorpholine
CID 56806367
9-(3-chloro-5-nitro-2-pyridinyl)-3,3-difluoro-1-oxa-9-azaspiro[5.5]undecane
CID 156565872
3-chloro-2-(4-ethenylpiperidin-1-yl)-5-nitropyridine
CID 133309524
1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-3-methylpyrrolidin-3-ol
CID 103725154
6-(3-chloro-5-nitro-2-pyridinyl)-4-methyl-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazine
CID 133364422
1-(4,5-dichloro-2-nitrophenyl)-4-methylazepan-4-ol
CID 107407571

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-5-nitro-2-pyridinyl)-3-methylpiperidin-3-ol?
The IUPAC name of 1-(3-chloro-5-nitro-2-pyridinyl)-3-methylpiperidin-3-ol (CID 103878214) is 1-(3-chloro-5-nitro-2-pyridinyl)-3-methylpiperidin-3-ol.
What is the SMILES notation for 1-(3-chloro-5-nitro-2-pyridinyl)-3-methylpiperidin-3-ol?
The canonical SMILES for 1-(3-chloro-5-nitro-2-pyridinyl)-3-methylpiperidin-3-ol is CC1(O)CCCN(c2ncc([N+](=O)[O-])cc2Cl)C1.
What is the InChIKey of 1-(3-chloro-5-nitro-2-pyridinyl)-3-methylpiperidin-3-ol?
The InChIKey is GPWWZISYDZSVAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClN3O3/c1-11(16)3-2-4-14(7-11)10-9(12)5-8(6-13-10)15(17)18/h5-6,16H,2-4,7H2,1H3.
What are the key properties of 1-(3-chloro-5-nitro-2-pyridinyl)-3-methylpiperidin-3-ol?
1-(3-chloro-5-nitro-2-pyridinyl)-3-methylpiperidin-3-ol has a molecular weight of 271.70 g/mol, XLogP of 1.99, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-5-nitro-2-pyridinyl)-3-methylpiperidin-3-ol is sourced from PubChem (CID 103878214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).