2-(2-chloro-2-cyclopropylethyl)-3-nitropyridine

C10H11ClN2O2 — CID 63353206

IUPAC2-(2-chloro-2-cyclopropylethyl)-3-nitropyridine
SMILESO=[N+]([O-])c1cccnc1CC(Cl)C1CC1
InChIInChI=1S/C10H11ClN2O2/c11-8(7-3-4-7)6-9-10(13(14)15)2-1-5-12-9/h1-2,5,7-8H,3-4,6H2
InChIKeyRDMZBLXGLSQKDK-UHFFFAOYSA-N
MW226.66 g/mol
LogP2.55
Rot. Bonds4

About 2-(2-chloro-2-cyclopropylethyl)-3-nitropyridine

2-(2-chloro-2-cyclopropylethyl)-3-nitropyridine (PubChem CID 63353206) has the molecular formula C10H11ClN2O2 and a molecular weight of 226.66 g/mol. Its IUPAC name is 2-(2-chloro-2-cyclopropylethyl)-3-nitropyridine.

Molecular Properties

Compound Name2-(2-chloro-2-cyclopropylethyl)-3-nitropyridine
PubChem CID63353206
Molecular FormulaC10H11ClN2O2
Molecular Weight226.66 g/mol
Exact Mass226.05
IUPAC Name2-(2-chloro-2-cyclopropylethyl)-3-nitropyridine
SMILESO=[N+]([O-])c1cccnc1CC(Cl)C1CC1
InChIInChI=1S/C10H11ClN2O2/c11-8(7-3-4-7)6-9-10(13(14)15)2-1-5-12-9/h1-2,5,7-8H,3-4,6H2
InChIKeyRDMZBLXGLSQKDK-UHFFFAOYSA-N
XLogP2.55
TPSA56.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.66
LogP ≤ 52.55
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

8-(2-chloro-2-cyclopropylethyl)-5-nitroquinoline
CID 63352924
5-(2-chloro-2-cyclopropylethyl)-8-nitroquinoline
CID 55189970
2-(2-chloro-2-cyclopropylethyl)-6-methyl-3-nitropyridine
CID 81137768
2-(2-chloro-2-cyclopropylethyl)-1-methyl-3-nitrobenzene
CID 115554188
3-methyl-1-(3-nitro-2-pyridinyl)butan-2-ol
CID 63200954
2-(2-bromo-2-phenylethyl)-3-nitropyridine
CID 63203042
3-bromo-2-(2-chloro-2-cyclopropylethyl)-5-nitropyridine
CID 79524589
1-(2-chloro-2-cyclopropylethyl)-4-fluoro-2-nitrobenzene
CID 63352830
(3-nitro-2-pyridinyl)methylphosphonic acid
CID 69136226
1-cyclopropyl-N-methyl-2-[(3-nitro-2-pyridinyl)oxy]ethanamine
CID 71144946
1-(3-chloro-3-cyclopropylpropyl)-2-fluoro-3-nitrobenzene
CID 107350564
2-cyclopropylsulfonyl-3-nitropyridine
CID 153380489

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-2-cyclopropylethyl)-3-nitropyridine?
The IUPAC name of 2-(2-chloro-2-cyclopropylethyl)-3-nitropyridine (CID 63353206) is 2-(2-chloro-2-cyclopropylethyl)-3-nitropyridine.
What is the SMILES notation for 2-(2-chloro-2-cyclopropylethyl)-3-nitropyridine?
The canonical SMILES for 2-(2-chloro-2-cyclopropylethyl)-3-nitropyridine is O=[N+]([O-])c1cccnc1CC(Cl)C1CC1.
What is the InChIKey of 2-(2-chloro-2-cyclopropylethyl)-3-nitropyridine?
The InChIKey is RDMZBLXGLSQKDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN2O2/c11-8(7-3-4-7)6-9-10(13(14)15)2-1-5-12-9/h1-2,5,7-8H,3-4,6H2.
What are the key properties of 2-(2-chloro-2-cyclopropylethyl)-3-nitropyridine?
2-(2-chloro-2-cyclopropylethyl)-3-nitropyridine has a molecular weight of 226.66 g/mol, XLogP of 2.55, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-2-cyclopropylethyl)-3-nitropyridine is sourced from PubChem (CID 63353206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).