4-[dichloro(nitro)methyl]-2-methylpyridine

C7H6Cl2N2O2 — CID 119091727

IUPAC4-[dichloro(nitro)methyl]-2-methylpyridine
SMILESCc1cc(C(Cl)(Cl)[N+](=O)[O-])ccn1
InChIInChI=1S/C7H6Cl2N2O2/c1-5-4-6(2-3-10-5)7(8,9)11(12)13/h2-4H,1H3
InChIKeyDJNMFHYLMCKCET-UHFFFAOYSA-N
MW221.04 g/mol
LogP2.25
Rot. Bonds2

About 4-[dichloro(nitro)methyl]-2-methylpyridine

4-[dichloro(nitro)methyl]-2-methylpyridine (PubChem CID 119091727) has the molecular formula C7H6Cl2N2O2 and a molecular weight of 221.04 g/mol. Its IUPAC name is 4-[dichloro(nitro)methyl]-2-methylpyridine.

Molecular Properties

Compound Name4-[dichloro(nitro)methyl]-2-methylpyridine
PubChem CID119091727
Molecular FormulaC7H6Cl2N2O2
Molecular Weight221.04 g/mol
Exact Mass219.98
IUPAC Name4-[dichloro(nitro)methyl]-2-methylpyridine
SMILESCc1cc(C(Cl)(Cl)[N+](=O)[O-])ccn1
InChIInChI=1S/C7H6Cl2N2O2/c1-5-4-6(2-3-10-5)7(8,9)11(12)13/h2-4H,1H3
InChIKeyDJNMFHYLMCKCET-UHFFFAOYSA-N
XLogP2.25
TPSA56.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.04
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', '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-chloro-4-(trifluoromethyl)pyridine;2-methyl-4-(trifluoromethyl)pyridine
CID 157088405
1,1,1,3,3,3-hexafluoro-2-(2-methyl-4-pyridinyl)propan-2-ol
CID 166610446
(2-methyl-4-pyridinyl) nitrate
CID 91620911
2-methyl-4-(trifluoromethyl)pyridine;propane
CID 143330484
4-[bromo(nitro)methyl]-2-methylpyridine
CID 119090074
3-(4-chlorophenyl)-1,1,1-trifluoro-3-methyl-2-(2-methyl-4-pyridinyl)butan-2-ol
CID 57421296
2-methylpyridine;nitric acid
CID 134537856
2-methyl-4-nitrosopyridine
CID 88648180
6-(2-methyl-4-pyridinyl)-3-nitro-1H-pyridin-2-one
CID 20550316
4,4-dimethoxy-4-(2-methyl-4-pyridinyl)butan-1-amine
CID 135211589
copper(1+);bis(2,4-dimethylpyridine);perchlorate
CID 71364733
4-(chloromethyl)-2-methylpyridine
CID 12675262

Frequently Asked Questions

What is the IUPAC name of 4-[dichloro(nitro)methyl]-2-methylpyridine?
The IUPAC name of 4-[dichloro(nitro)methyl]-2-methylpyridine (CID 119091727) is 4-[dichloro(nitro)methyl]-2-methylpyridine.
What is the SMILES notation for 4-[dichloro(nitro)methyl]-2-methylpyridine?
The canonical SMILES for 4-[dichloro(nitro)methyl]-2-methylpyridine is Cc1cc(C(Cl)(Cl)[N+](=O)[O-])ccn1.
What is the InChIKey of 4-[dichloro(nitro)methyl]-2-methylpyridine?
The InChIKey is DJNMFHYLMCKCET-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6Cl2N2O2/c1-5-4-6(2-3-10-5)7(8,9)11(12)13/h2-4H,1H3.
What are the key properties of 4-[dichloro(nitro)methyl]-2-methylpyridine?
4-[dichloro(nitro)methyl]-2-methylpyridine has a molecular weight of 221.04 g/mol, XLogP of 2.25, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[dichloro(nitro)methyl]-2-methylpyridine is sourced from PubChem (CID 119091727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).