2-(2-chloropropyl)-5-nitropyridine

C8H9ClN2O2 — CID 63205077

IUPAC2-(2-chloropropyl)-5-nitropyridine
SMILESCC(Cl)Cc1ccc([N+](=O)[O-])cn1
InChIInChI=1S/C8H9ClN2O2/c1-6(9)4-7-2-3-8(5-10-7)11(12)13/h2-3,5-6H,4H2,1H3
InChIKeyQMAGYLJJCORAFT-UHFFFAOYSA-N
MW200.63 g/mol
LogP2.16
Rot. Bonds3

About 2-(2-chloropropyl)-5-nitropyridine

2-(2-chloropropyl)-5-nitropyridine (PubChem CID 63205077) has the molecular formula C8H9ClN2O2 and a molecular weight of 200.63 g/mol. Its IUPAC name is 2-(2-chloropropyl)-5-nitropyridine.

Molecular Properties

Compound Name2-(2-chloropropyl)-5-nitropyridine
PubChem CID63205077
Molecular FormulaC8H9ClN2O2
Molecular Weight200.63 g/mol
Exact Mass200.04
IUPAC Name2-(2-chloropropyl)-5-nitropyridine
SMILESCC(Cl)Cc1ccc([N+](=O)[O-])cn1
InChIInChI=1S/C8H9ClN2O2/c1-6(9)4-7-2-3-8(5-10-7)11(12)13/h2-3,5-6H,4H2,1H3
InChIKeyQMAGYLJJCORAFT-UHFFFAOYSA-N
XLogP2.16
TPSA56.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.63
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', '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

(2R)-1-(5-nitro-2-pyridinyl)propan-2-amine
CID 95028659
3,3-dimethyl-1-(5-nitro-2-pyridinyl)butan-2-amine
CID 63196346
N-methyl-1-(5-nitro-2-pyridinyl)methanamine
CID 144940815
2-(5-nitro-2-pyridinyl)-1-phenylethanamine
CID 55162185
1-(5-nitro-2-pyridinyl)butan-2-one
CID 63199129
ethane;2-methyl-5-nitropyridine
CID 123657002
methane;5-nitropyridin-2-amine
CID 174857781
ethane;2-methylsulfanyl-5-nitropyridine
CID 142860412
3-(5-nitro-2-pyridinyl)butan-2-amine
CID 63198306
5-nitro-2-propan-2-ylsulfonylpyridine
CID 23537091
N-[(2R)-1-ethylsulfanylpropan-2-yl]-N-methyl-5-nitropyridin-2-amine
CID 95968534
2-(5-nitro-2-pyridinyl)pentan-3-amine
CID 63550334

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloropropyl)-5-nitropyridine?
The IUPAC name of 2-(2-chloropropyl)-5-nitropyridine (CID 63205077) is 2-(2-chloropropyl)-5-nitropyridine.
What is the SMILES notation for 2-(2-chloropropyl)-5-nitropyridine?
The canonical SMILES for 2-(2-chloropropyl)-5-nitropyridine is CC(Cl)Cc1ccc([N+](=O)[O-])cn1.
What is the InChIKey of 2-(2-chloropropyl)-5-nitropyridine?
The InChIKey is QMAGYLJJCORAFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClN2O2/c1-6(9)4-7-2-3-8(5-10-7)11(12)13/h2-3,5-6H,4H2,1H3.
What are the key properties of 2-(2-chloropropyl)-5-nitropyridine?
2-(2-chloropropyl)-5-nitropyridine has a molecular weight of 200.63 g/mol, XLogP of 2.16, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloropropyl)-5-nitropyridine is sourced from PubChem (CID 63205077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).