2-chloro-5-methyl-3-nitropyridine

C12H10Cl2N4O4 — CID 139082293

IUPAC2-chloro-5-methyl-3-nitropyridine
SMILESCc1cnc(Cl)c([N+](=O)[O-])c1.Cc1cnc(Cl)c([N+](=O)[O-])c1
InChIInChI=1S/2C6H5ClN2O2/c2*1-4-2-5(9(10)11)6(7)8-3-4/h2*2-3H,1H3
InChIKeyLEMCLOOKUYYROJ-UHFFFAOYSA-N
MW345.14 g/mol
LogP3.90
Rot. Bonds2

About 2-chloro-5-methyl-3-nitropyridine

2-chloro-5-methyl-3-nitropyridine (PubChem CID 139082293) has the molecular formula C12H10Cl2N4O4 and a molecular weight of 345.14 g/mol. Its IUPAC name is 2-chloro-5-methyl-3-nitropyridine.

Molecular Properties

Compound Name2-chloro-5-methyl-3-nitropyridine
PubChem CID139082293
Molecular FormulaC12H10Cl2N4O4
Molecular Weight345.14 g/mol
Exact Mass344.01
IUPAC Name2-chloro-5-methyl-3-nitropyridine
SMILESCc1cnc(Cl)c([N+](=O)[O-])c1.Cc1cnc(Cl)c([N+](=O)[O-])c1
InChIInChI=1S/2C6H5ClN2O2/c2*1-4-2-5(9(10)11)6(7)8-3-4/h2*2-3H,1H3
InChIKeyLEMCLOOKUYYROJ-UHFFFAOYSA-N
XLogP3.90
TPSA112.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.14
LogP ≤ 53.90
H-Bond Donors ≤ 50
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

2,5-dimethyl-3-nitropyridine
CID 12626468
2-chloro-5-fluoro-3-nitropyridine
CID 10773626
2-chloro-5-(fluoromethyl)-3-nitropyridine
CID 174286829
2-(2,5-dichlorophenyl)-5-methyl-3-nitropyridine
CID 118819253
(1R)-1-(6-chloro-5-nitro-3-pyridinyl)-N-methylethanamine
CID 130699268
2-chloro-5-(1,3-dioxolan-2-yl)-3-nitropyridine
CID 118585912
5-methyl-3-nitropyridine-2-sulfonamide
CID 19378728
(5-methyl-3-nitro-2-pyridinyl)methanamine;hydrochloride
CID 162421679
5-methyl-3-nitro-2-propan-2-yloxypyridine
CID 124704568
2-[(5-methyl-3-nitro-2-pyridinyl)amino]ethanol
CID 65439508
2-chloro-3-nitro-5-(1,2,2-trifluoroethyl)pyridine
CID 87510432
2-chloro-3-fluoro-4-methyl-5-nitropyridine
CID 151225607

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-methyl-3-nitropyridine?
The IUPAC name of 2-chloro-5-methyl-3-nitropyridine (CID 139082293) is 2-chloro-5-methyl-3-nitropyridine.
What is the SMILES notation for 2-chloro-5-methyl-3-nitropyridine?
The canonical SMILES for 2-chloro-5-methyl-3-nitropyridine is Cc1cnc(Cl)c([N+](=O)[O-])c1.Cc1cnc(Cl)c([N+](=O)[O-])c1.
What is the InChIKey of 2-chloro-5-methyl-3-nitropyridine?
The InChIKey is LEMCLOOKUYYROJ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C6H5ClN2O2/c2*1-4-2-5(9(10)11)6(7)8-3-4/h2*2-3H,1H3.
What are the key properties of 2-chloro-5-methyl-3-nitropyridine?
2-chloro-5-methyl-3-nitropyridine has a molecular weight of 345.14 g/mol, XLogP of 3.90, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-methyl-3-nitropyridine is sourced from PubChem (CID 139082293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).