2-tert-butyl-4-isocyano-6-methoxypyridine

C11H14N2O — CID 171717491

IUPAC2-tert-butyl-4-isocyano-6-methoxypyridine
SMILES[C-]#[N+]c1cc(OC)nc(C(C)(C)C)c1
InChIInChI=1S/C11H14N2O/c1-11(2,3)9-6-8(12-4)7-10(13-9)14-5/h6-7H,1-3,5H3
InChIKeyJDMMYODUCOVHDL-UHFFFAOYSA-N
MW190.25 g/mol
LogP2.94
Rot. Bonds1

About 2-tert-butyl-4-isocyano-6-methoxypyridine

2-tert-butyl-4-isocyano-6-methoxypyridine (PubChem CID 171717491) has the molecular formula C11H14N2O and a molecular weight of 190.25 g/mol. Its IUPAC name is 2-tert-butyl-4-isocyano-6-methoxypyridine.

Molecular Properties

Compound Name2-tert-butyl-4-isocyano-6-methoxypyridine
PubChem CID171717491
Molecular FormulaC11H14N2O
Molecular Weight190.25 g/mol
Exact Mass190.11
IUPAC Name2-tert-butyl-4-isocyano-6-methoxypyridine
SMILES[C-]#[N+]c1cc(OC)nc(C(C)(C)C)c1
InChIInChI=1S/C11H14N2O/c1-11(2,3)9-6-8(12-4)7-10(13-9)14-5/h6-7H,1-3,5H3
InChIKeyJDMMYODUCOVHDL-UHFFFAOYSA-N
XLogP2.94
TPSA26.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.25
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Related Compounds

N-[(2-tert-butyl-6-methoxy-4-pyridinyl)methyl]-2-methylpropan-1-amine
CID 113381553
2-chloro-4-(4-isocyanophenyl)-6-methoxypyridine
CID 140744754
N-(azetidin-3-yl)-4-tert-butyl-6-methoxypyrimidin-2-amine
CID 118552350
3-tert-butyl-1-(2,6-dimethoxypyrimidin-4-yl)pyrazol-5-amine
CID 58589845
4-(bromomethyl)-2-methoxy-6-(trifluoromethyl)pyridine
CID 118704153
2,4-ditert-butyl-6-ethoxypyridine
CID 176622096
2-tert-butyl-1-(2-tert-butyl-4-isocyanophenoxy)-4-isocyanobenzene
CID 57200258
1-tert-butyl-3-isocyano-5-(trifluoromethyl)benzene
CID 140777401
2-tert-butyl-4-isocyano-1-methylbenzene
CID 159628061
4-tert-butyl-2-(4-tert-butyl-3-hydroxy-2-pyridinyl)-6-methoxypyridin-3-ol
CID 169227317
2,4-ditert-butyl-3-fluoro-6-methoxypyridine
CID 177282926
6-tert-butyl-N-ethyl-2-(6-methoxypyrimidin-4-yl)pyrimidin-4-amine
CID 102952693

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-4-isocyano-6-methoxypyridine?
The IUPAC name of 2-tert-butyl-4-isocyano-6-methoxypyridine (CID 171717491) is 2-tert-butyl-4-isocyano-6-methoxypyridine.
What is the SMILES notation for 2-tert-butyl-4-isocyano-6-methoxypyridine?
The canonical SMILES for 2-tert-butyl-4-isocyano-6-methoxypyridine is [C-]#[N+]c1cc(OC)nc(C(C)(C)C)c1.
What is the InChIKey of 2-tert-butyl-4-isocyano-6-methoxypyridine?
The InChIKey is JDMMYODUCOVHDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O/c1-11(2,3)9-6-8(12-4)7-10(13-9)14-5/h6-7H,1-3,5H3.
What are the key properties of 2-tert-butyl-4-isocyano-6-methoxypyridine?
2-tert-butyl-4-isocyano-6-methoxypyridine has a molecular weight of 190.25 g/mol, XLogP of 2.94, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-4-isocyano-6-methoxypyridine is sourced from PubChem (CID 171717491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).