2-chloro-3-methyl-5-nitrophenol

C7H6ClNO3 — CID 119016327

IUPAC2-chloro-3-methyl-5-nitrophenol
SMILESCc1cc([N+](=O)[O-])cc(O)c1Cl
InChIInChI=1S/C7H6ClNO3/c1-4-2-5(9(11)12)3-6(10)7(4)8/h2-3,10H,1H3
InChIKeyFVZDJFRCDYXDRP-UHFFFAOYSA-N
MW187.58 g/mol
LogP2.26
Rot. Bonds1

About 2-chloro-3-methyl-5-nitrophenol

2-chloro-3-methyl-5-nitrophenol (PubChem CID 119016327) has the molecular formula C7H6ClNO3 and a molecular weight of 187.58 g/mol. Its IUPAC name is 2-chloro-3-methyl-5-nitrophenol.

Molecular Properties

Compound Name2-chloro-3-methyl-5-nitrophenol
PubChem CID119016327
Molecular FormulaC7H6ClNO3
Molecular Weight187.58 g/mol
Exact Mass187.00
IUPAC Name2-chloro-3-methyl-5-nitrophenol
SMILESCc1cc([N+](=O)[O-])cc(O)c1Cl
InChIInChI=1S/C7H6ClNO3/c1-4-2-5(9(11)12)3-6(10)7(4)8/h2-3,10H,1H3
InChIKeyFVZDJFRCDYXDRP-UHFFFAOYSA-N
XLogP2.26
TPSA63.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.58
LogP ≤ 52.26
H-Bond Donors ≤ 51
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

2-chloro-3-methyl-5-nitrobenzoyl chloride
CID 131138063
2-chloro-3-methyl-5-nitrobenzenesulfinic acid
CID 165455387
2-(2-chloro-3-methyl-5-nitrophenyl)acetic acid
CID 119024466
2,6-dimethyl-4-nitrophenol;ethane;methane
CID 143297334
2-chloro-1-methyl-5-nitro-3-(trifluoromethyl)benzene
CID 13489933
5-nitrobenzene-1,2,3-triol
CID 19910425
2-chloro-6-methyl-4-nitrobenzenethiol
CID 119001206
2,5-dinitrobenzene-1,3-diol
CID 89183388
2,6-dimethyl-4-nitrophenolate
CID 6993803
4-chloro-3-methyl-5-nitrophenol
CID 118799935
2-methyl-4-nitrophenol;molecular nitrogen
CID 166479227
1-chloro-2-fluoro-3-methyl-5-nitrobenzene
CID 86042359

Frequently Asked Questions

What is the IUPAC name of 2-chloro-3-methyl-5-nitrophenol?
The IUPAC name of 2-chloro-3-methyl-5-nitrophenol (CID 119016327) is 2-chloro-3-methyl-5-nitrophenol.
What is the SMILES notation for 2-chloro-3-methyl-5-nitrophenol?
The canonical SMILES for 2-chloro-3-methyl-5-nitrophenol is Cc1cc([N+](=O)[O-])cc(O)c1Cl.
What is the InChIKey of 2-chloro-3-methyl-5-nitrophenol?
The InChIKey is FVZDJFRCDYXDRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6ClNO3/c1-4-2-5(9(11)12)3-6(10)7(4)8/h2-3,10H,1H3.
What are the key properties of 2-chloro-3-methyl-5-nitrophenol?
2-chloro-3-methyl-5-nitrophenol has a molecular weight of 187.58 g/mol, XLogP of 2.26, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3-methyl-5-nitrophenol is sourced from PubChem (CID 119016327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).