5-chloro-4-methyl-2-nitropyridine

C6H5ClN2O2 — CID 77230639

IUPAC5-chloro-4-methyl-2-nitropyridine
SMILESCc1cc([N+](=O)[O-])ncc1Cl
InChIInChI=1S/C6H5ClN2O2/c1-4-2-6(9(10)11)8-3-5(4)7/h2-3H,1H3
InChIKeyVUGDUKCRHVYHJO-UHFFFAOYSA-N
MW172.57 g/mol
LogP1.95
Rot. Bonds1

About 5-chloro-4-methyl-2-nitropyridine

5-chloro-4-methyl-2-nitropyridine (PubChem CID 77230639) has the molecular formula C6H5ClN2O2 and a molecular weight of 172.57 g/mol. Its IUPAC name is 5-chloro-4-methyl-2-nitropyridine.

Molecular Properties

Compound Name5-chloro-4-methyl-2-nitropyridine
PubChem CID77230639
Molecular FormulaC6H5ClN2O2
Molecular Weight172.57 g/mol
Exact Mass172.00
IUPAC Name5-chloro-4-methyl-2-nitropyridine
SMILESCc1cc([N+](=O)[O-])ncc1Cl
InChIInChI=1S/C6H5ClN2O2/c1-4-2-6(9(10)11)8-3-5(4)7/h2-3H,1H3
InChIKeyVUGDUKCRHVYHJO-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

5-bromo-4-chloro-2-nitropyridine
CID 118994717
4-chloro-5-methoxy-2-nitropyridine
CID 118850680
ethyl 4-chloro-6-nitropyridine-3-carboxylate
CID 133097798
5-methyl-2-nitropyridine-4-carbonitrile
CID 130882293
4-chloro-7-nitro-1,6-naphthyridine
CID 133060789
2-bromo-3-chloro-4-methyl-6-nitropyridine
CID 118994473
4-bromo-5-(chloromethyl)-2-nitropyridine
CID 118827535
3-[(4-methyl-6-nitro-3-pyridinyl)oxy]-3-oxopropanoic acid
CID 67515592
4-chloro-2-nitropyridine
CID 2762847
5-(4-chloro-3-methylpyrazol-1-yl)-2-nitropyridine-4-carboxylic acid
CID 114194120
1,3-dichloro-4,5-dimethyl-2-nitrobenzene
CID 20726985
1-chloro-2-methyl-4-nitrobenzene;sulfane
CID 162192887

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-methyl-2-nitropyridine?
The IUPAC name of 5-chloro-4-methyl-2-nitropyridine (CID 77230639) is 5-chloro-4-methyl-2-nitropyridine.
What is the SMILES notation for 5-chloro-4-methyl-2-nitropyridine?
The canonical SMILES for 5-chloro-4-methyl-2-nitropyridine is Cc1cc([N+](=O)[O-])ncc1Cl.
What is the InChIKey of 5-chloro-4-methyl-2-nitropyridine?
The InChIKey is VUGDUKCRHVYHJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5ClN2O2/c1-4-2-6(9(10)11)8-3-5(4)7/h2-3H,1H3.
What are the key properties of 5-chloro-4-methyl-2-nitropyridine?
5-chloro-4-methyl-2-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 5-chloro-4-methyl-2-nitropyridine is sourced from PubChem (CID 77230639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).