2-methyl-5-(2-nitrosopropan-2-yl)pyridine

C9H12N2O — CID 126747574

IUPAC2-methyl-5-(2-nitrosopropan-2-yl)pyridine
SMILESCc1ccc(C(C)(C)N=O)cn1
InChIInChI=1S/C9H12N2O/c1-7-4-5-8(6-10-7)9(2,3)11-12/h4-6H,1-3H3
InChIKeySDAPNGUGRPYGFP-UHFFFAOYSA-N
MW164.21 g/mol
LogP2.39
Rot. Bonds2

About 2-methyl-5-(2-nitrosopropan-2-yl)pyridine

2-methyl-5-(2-nitrosopropan-2-yl)pyridine (PubChem CID 126747574) has the molecular formula C9H12N2O and a molecular weight of 164.21 g/mol. Its IUPAC name is 2-methyl-5-(2-nitrosopropan-2-yl)pyridine.

Molecular Properties

Compound Name2-methyl-5-(2-nitrosopropan-2-yl)pyridine
PubChem CID126747574
Molecular FormulaC9H12N2O
Molecular Weight164.21 g/mol
Exact Mass164.09
IUPAC Name2-methyl-5-(2-nitrosopropan-2-yl)pyridine
SMILESCc1ccc(C(C)(C)N=O)cn1
InChIInChI=1S/C9H12N2O/c1-7-4-5-8(6-10-7)9(2,3)11-12/h4-6H,1-3H3
InChIKeySDAPNGUGRPYGFP-UHFFFAOYSA-N
XLogP2.39
TPSA42.32 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.21
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-tert-butyl-2-methylpyridine;methane
CID 157425273
5-tert-butyl-2-methylpyridine;ethane
CID 162055015
5-(1,1-difluoroethyl)-2-methylpyridine;ethane
CID 145136619
2-methyl-5-(trifluoromethyl)pyridine
CID 18361873
(1R)-1-iodo-1-(6-methyl-3-pyridinyl)ethanamine
CID 67304354
1,1,1-trifluoro-2-(6-methyl-3-pyridinyl)propan-2-ol
CID 127018337
2-methyl-2-(6-methyl-3-pyridinyl)butanoic acid
CID 83830381
ethyl 2-methyl-2-(6-methyl-3-pyridinyl)propanoate
CID 63158204
5-(4-chloro-2-methylpentan-2-yl)-2-methylpyridine
CID 64717476
1-cyclopropyl-1-(6-methyl-3-pyridinyl)ethanamine
CID 83827657
1-(4-chlorophenyl)-1-(6-methyl-3-pyridinyl)ethanol
CID 63155579
1-(4-bromophenyl)-1-(6-methyl-3-pyridinyl)ethanamine
CID 63155712

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-(2-nitrosopropan-2-yl)pyridine?
The IUPAC name of 2-methyl-5-(2-nitrosopropan-2-yl)pyridine (CID 126747574) is 2-methyl-5-(2-nitrosopropan-2-yl)pyridine.
What is the SMILES notation for 2-methyl-5-(2-nitrosopropan-2-yl)pyridine?
The canonical SMILES for 2-methyl-5-(2-nitrosopropan-2-yl)pyridine is Cc1ccc(C(C)(C)N=O)cn1.
What is the InChIKey of 2-methyl-5-(2-nitrosopropan-2-yl)pyridine?
The InChIKey is SDAPNGUGRPYGFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O/c1-7-4-5-8(6-10-7)9(2,3)11-12/h4-6H,1-3H3.
What are the key properties of 2-methyl-5-(2-nitrosopropan-2-yl)pyridine?
2-methyl-5-(2-nitrosopropan-2-yl)pyridine has a molecular weight of 164.21 g/mol, XLogP of 2.39, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-(2-nitrosopropan-2-yl)pyridine is sourced from PubChem (CID 126747574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).