3-chloro-2-methyl-4-nitropyridine

C6H5ClN2O2 — CID 21364039

IUPAC3-chloro-2-methyl-4-nitropyridine
SMILESCc1nccc([N+](=O)[O-])c1Cl
InChIInChI=1S/C6H5ClN2O2/c1-4-6(7)5(9(10)11)2-3-8-4/h2-3H,1H3
InChIKeyRWFSJHBFFJPBIZ-UHFFFAOYSA-N
MW172.57 g/mol
LogP1.95
Rot. Bonds1

About 3-chloro-2-methyl-4-nitropyridine

3-chloro-2-methyl-4-nitropyridine (PubChem CID 21364039) has the molecular formula C6H5ClN2O2 and a molecular weight of 172.57 g/mol. Its IUPAC name is 3-chloro-2-methyl-4-nitropyridine.

Molecular Properties

Compound Name3-chloro-2-methyl-4-nitropyridine
PubChem CID21364039
Molecular FormulaC6H5ClN2O2
Molecular Weight172.57 g/mol
Exact Mass172.00
IUPAC Name3-chloro-2-methyl-4-nitropyridine
SMILESCc1nccc([N+](=O)[O-])c1Cl
InChIInChI=1S/C6H5ClN2O2/c1-4-6(7)5(9(10)11)2-3-8-4/h2-3H,1H3
InChIKeyRWFSJHBFFJPBIZ-UHFFFAOYSA-N
XLogP1.95
TPSA56.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.57
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

3-chloro-2,4-dinitropyridine
CID 174686743
3-chloro-2-iodo-4-nitropyridine
CID 131142975
4-chloro-8-methyl-3-nitro-1,7-naphthyridine
CID 103416471
3-methyl-4-nitropyridin-2-amine
CID 19758038
2-chloro-6-methyl-3-nitrobenzaldehyde
CID 119014184
3-methyl-4-nitropyridine-2-carbaldehyde
CID 118192717
4-chloro-8-methyl-7-nitroquinoline
CID 10242674
3-methyl-4-nitropyridine-2-carboxylic acid
CID 21297413
3-chloro-1-fluoro-2-methyl-4-nitrobenzene
CID 13251509
4-chloro-6-methyl-8-nitroquinoline
CID 19592802
2-ethoxy-3-methyl-4-nitropyridine
CID 133054442
2-bromo-4-nitropyridine-3-sulfonyl chloride
CID 130935800

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-methyl-4-nitropyridine?
The IUPAC name of 3-chloro-2-methyl-4-nitropyridine (CID 21364039) is 3-chloro-2-methyl-4-nitropyridine.
What is the SMILES notation for 3-chloro-2-methyl-4-nitropyridine?
The canonical SMILES for 3-chloro-2-methyl-4-nitropyridine is Cc1nccc([N+](=O)[O-])c1Cl.
What is the InChIKey of 3-chloro-2-methyl-4-nitropyridine?
The InChIKey is RWFSJHBFFJPBIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5ClN2O2/c1-4-6(7)5(9(10)11)2-3-8-4/h2-3H,1H3.
What are the key properties of 3-chloro-2-methyl-4-nitropyridine?
3-chloro-2-methyl-4-nitropyridine has a molecular weight of 172.57 g/mol, XLogP of 1.95, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-methyl-4-nitropyridine is sourced from PubChem (CID 21364039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).