2-chloro-1-methyl-5-nitroso-2H-pyridine

C6H7ClN2O — CID 174904141

IUPAC2-chloro-1-methyl-5-nitroso-2H-pyridine
SMILESCN1C=C(N=O)C=CC1Cl
InChIInChI=1S/C6H7ClN2O/c1-9-4-5(8-10)2-3-6(9)7/h2-4,6H,1H3
InChIKeyQTVIOYQBBSUBTN-UHFFFAOYSA-N
MW158.59 g/mol
LogP1.66
Rot. Bonds1

About 2-chloro-1-methyl-5-nitroso-2H-pyridine

2-chloro-1-methyl-5-nitroso-2H-pyridine (PubChem CID 174904141) has the molecular formula C6H7ClN2O and a molecular weight of 158.59 g/mol. Its IUPAC name is 2-chloro-1-methyl-5-nitroso-2H-pyridine.

Molecular Properties

Compound Name2-chloro-1-methyl-5-nitroso-2H-pyridine
PubChem CID174904141
Molecular FormulaC6H7ClN2O
Molecular Weight158.59 g/mol
Exact Mass158.02
IUPAC Name2-chloro-1-methyl-5-nitroso-2H-pyridine
SMILESCN1C=C(N=O)C=CC1Cl
InChIInChI=1S/C6H7ClN2O/c1-9-4-5(8-10)2-3-6(9)7/h2-4,6H,1H3
InChIKeyQTVIOYQBBSUBTN-UHFFFAOYSA-N
XLogP1.66
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.59
LogP ≤ 51.66
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'}

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-1-methyl-5-nitroso-2H-pyridine?
The IUPAC name of 2-chloro-1-methyl-5-nitroso-2H-pyridine (CID 174904141) is 2-chloro-1-methyl-5-nitroso-2H-pyridine.
What is the SMILES notation for 2-chloro-1-methyl-5-nitroso-2H-pyridine?
The canonical SMILES for 2-chloro-1-methyl-5-nitroso-2H-pyridine is CN1C=C(N=O)C=CC1Cl.
What is the InChIKey of 2-chloro-1-methyl-5-nitroso-2H-pyridine?
The InChIKey is QTVIOYQBBSUBTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7ClN2O/c1-9-4-5(8-10)2-3-6(9)7/h2-4,6H,1H3.
What are the key properties of 2-chloro-1-methyl-5-nitroso-2H-pyridine?
2-chloro-1-methyl-5-nitroso-2H-pyridine has a molecular weight of 158.59 g/mol, XLogP of 1.66, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1-methyl-5-nitroso-2H-pyridine is sourced from PubChem (CID 174904141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).