2-chloro-4-cyclopropyl-5-nitropyridine

C8H7ClN2O2 — CID 168888744

IUPAC2-chloro-4-cyclopropyl-5-nitropyridine
SMILESO=[N+]([O-])c1cnc(Cl)cc1C1CC1
InChIInChI=1S/C8H7ClN2O2/c9-8-3-6(5-1-2-5)7(4-10-8)11(12)13/h3-5H,1-2H2
InChIKeyPEYJCQJQKLOSJY-UHFFFAOYSA-N
MW198.61 g/mol
LogP2.52
Rot. Bonds2

About 2-chloro-4-cyclopropyl-5-nitropyridine

2-chloro-4-cyclopropyl-5-nitropyridine (PubChem CID 168888744) has the molecular formula C8H7ClN2O2 and a molecular weight of 198.61 g/mol. Its IUPAC name is 2-chloro-4-cyclopropyl-5-nitropyridine.

Molecular Properties

Compound Name2-chloro-4-cyclopropyl-5-nitropyridine
PubChem CID168888744
Molecular FormulaC8H7ClN2O2
Molecular Weight198.61 g/mol
Exact Mass198.02
IUPAC Name2-chloro-4-cyclopropyl-5-nitropyridine
SMILESO=[N+]([O-])c1cnc(Cl)cc1C1CC1
InChIInChI=1S/C8H7ClN2O2/c9-8-3-6(5-1-2-5)7(4-10-8)11(12)13/h3-5H,1-2H2
InChIKeyPEYJCQJQKLOSJY-UHFFFAOYSA-N
XLogP2.52
TPSA56.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.61
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', '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-cyclopentyloxy-5-nitropyridine
CID 170737664
4-chloro-1-cyclopropyl-2-nitrobenzene
CID 130133348
2-chloro-N-cyclopentyl-5-nitropyridine-4-carboxamide
CID 103730768
2-chloro-5-iodo-4-nitropyridine
CID 131211540
2-(2-chloro-5-nitro-4-pyridinyl)ethanol
CID 87350535
5-bromo-2-cyclopropyl-4-nitropyridine
CID 172993463
4-chloro-2-cyclohexyl-1-nitrobenzene
CID 12007670
7-cyclopropyl-2-methoxy-6-nitroquinazoline
CID 151315865
4-[(2-chloro-5-nitro-4-pyridinyl)amino]cyclohexane-1-carboxylic acid;hydrochloride
CID 86692809
2-chloro-N-[(1S,2S)-2-hydroxycyclohexyl]-5-nitropyridine-4-carboxamide
CID 104957413
(2-chloro-5-nitro-4-pyridinyl)-(2-methylpiperidin-1-yl)methanone
CID 103730785
2-cyclobutylethyl 2-chloro-5-nitropyridine-4-carboxylate
CID 106206631

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-cyclopropyl-5-nitropyridine?
The IUPAC name of 2-chloro-4-cyclopropyl-5-nitropyridine (CID 168888744) is 2-chloro-4-cyclopropyl-5-nitropyridine.
What is the SMILES notation for 2-chloro-4-cyclopropyl-5-nitropyridine?
The canonical SMILES for 2-chloro-4-cyclopropyl-5-nitropyridine is O=[N+]([O-])c1cnc(Cl)cc1C1CC1.
What is the InChIKey of 2-chloro-4-cyclopropyl-5-nitropyridine?
The InChIKey is PEYJCQJQKLOSJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClN2O2/c9-8-3-6(5-1-2-5)7(4-10-8)11(12)13/h3-5H,1-2H2.
What are the key properties of 2-chloro-4-cyclopropyl-5-nitropyridine?
2-chloro-4-cyclopropyl-5-nitropyridine has a molecular weight of 198.61 g/mol, XLogP of 2.52, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-cyclopropyl-5-nitropyridine is sourced from PubChem (CID 168888744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).