5-chloro-2-methoxy-3-nitropyridine chloride

C6H5Cl2N2O3- — CID 164593887

IUPAC5-chloro-2-methoxy-3-nitropyridine chloride
SMILESCOc1ncc(Cl)cc1[N+](=O)[O-].[Cl-]
InChIInChI=1S/C6H5ClN2O3.ClH/c1-12-6-5(9(10)11)2-4(7)3-8-6;/h2-3H,1H3;1H/p-1
InChIKeyFEVWOXZFOYENIQ-UHFFFAOYSA-M
MW224.02 g/mol
LogP-1.34
Rot. Bonds2

About 5-chloro-2-methoxy-3-nitropyridine chloride

5-chloro-2-methoxy-3-nitropyridine chloride (PubChem CID 164593887) has the molecular formula C6H5Cl2N2O3- and a molecular weight of 224.02 g/mol. Its IUPAC name is 5-chloro-2-methoxy-3-nitropyridine chloride.

Molecular Properties

Compound Name5-chloro-2-methoxy-3-nitropyridine chloride
PubChem CID164593887
Molecular FormulaC6H5Cl2N2O3-
Molecular Weight224.02 g/mol
Exact Mass222.97
IUPAC Name5-chloro-2-methoxy-3-nitropyridine chloride
SMILESCOc1ncc(Cl)cc1[N+](=O)[O-].[Cl-]
InChIInChI=1S/C6H5ClN2O3.ClH/c1-12-6-5(9(10)11)2-4(7)3-8-6;/h2-3H,1H3;1H/p-1
InChIKeyFEVWOXZFOYENIQ-UHFFFAOYSA-M
XLogP-1.34
TPSA65.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.02
LogP ≤ 5-1.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

5-chloro-2-(3-methoxycyclobutyl)oxy-3-nitropyridine;ethane;methane
CID 142523619
5-(2,6-dichlorophenyl)-2-methoxy-3-nitropyridine
CID 133087485
(6-methoxy-5-nitro-3-pyridinyl)hydrazine
CID 169171499
6-methoxy-5-nitropyridine-3-carboxylic acid
CID 79001953
CID 88875877
CID 88875877
methyl 6-methoxy-5-nitropyridine-3-carboxylate
CID 2746880
4-[(5-chloro-3-nitro-2-pyridinyl)oxy]-1-methyltriazet-2-amine
CID 71190455
5-chloro-3-nitro-2-(pyridin-3-ylmethoxy)pyridine
CID 135218673
3-[(5-chloro-3-nitro-2-pyridinyl)oxy]pyridazine
CID 59849927
3,4-difluoro-2-methoxy-5-nitropyridine
CID 174616976
2-chloro-4-methoxy-5-nitropyrimidine
CID 3801616
1-[(5-chloro-3-nitro-2-pyridinyl)oxy]propan-2-yl carbamate
CID 175137480

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-methoxy-3-nitropyridine chloride?
The IUPAC name of 5-chloro-2-methoxy-3-nitropyridine chloride (CID 164593887) is 5-chloro-2-methoxy-3-nitropyridine chloride.
What is the SMILES notation for 5-chloro-2-methoxy-3-nitropyridine chloride?
The canonical SMILES for 5-chloro-2-methoxy-3-nitropyridine chloride is COc1ncc(Cl)cc1[N+](=O)[O-].[Cl-].
What is the InChIKey of 5-chloro-2-methoxy-3-nitropyridine chloride?
The InChIKey is FEVWOXZFOYENIQ-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H5ClN2O3.ClH/c1-12-6-5(9(10)11)2-4(7)3-8-6;/h2-3H,1H3;1H/p-1.
What are the key properties of 5-chloro-2-methoxy-3-nitropyridine chloride?
5-chloro-2-methoxy-3-nitropyridine chloride has a molecular weight of 224.02 g/mol, XLogP of -1.34, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-methoxy-3-nitropyridine chloride is sourced from PubChem (CID 164593887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).