(2S)-2-tert-butyl-1-methyl-2H-pyridine;carbon monoxide;chromium

C13H17CrNO3 — CID 134981467

IUPAC(2S)-2-tert-butyl-1-methyl-2H-pyridine;carbon monoxide;chromium
SMILESCN1C=CC=C[C@H]1C(C)(C)C.[C-]#[O+].[C-]#[O+].[C-]#[O+].[Cr]
InChIInChI=1S/C10H17N.3CO.Cr/c1-10(2,3)9-7-5-6-8-11(9)4;3*1-2;/h5-9H,1-4H3;;;;/t9-;;;;/m0..../s1
InChIKeyGQWZGLIXVDHQII-ZWACTXNCSA-N
MW287.28 g/mol
LogP2.30
Rot. Bonds

About (2S)-2-tert-butyl-1-methyl-2H-pyridine;carbon monoxide;chromium

(2S)-2-tert-butyl-1-methyl-2H-pyridine;carbon monoxide;chromium (PubChem CID 134981467) has the molecular formula C13H17CrNO3 and a molecular weight of 287.28 g/mol. Its IUPAC name is (2S)-2-tert-butyl-1-methyl-2H-pyridine;carbon monoxide;chromium.

Molecular Properties

Compound Name(2S)-2-tert-butyl-1-methyl-2H-pyridine;carbon monoxide;chromium
PubChem CID134981467
Molecular FormulaC13H17CrNO3
Molecular Weight287.28 g/mol
Exact Mass287.06
IUPAC Name(2S)-2-tert-butyl-1-methyl-2H-pyridine;carbon monoxide;chromium
SMILESCN1C=CC=C[C@H]1C(C)(C)C.[C-]#[O+].[C-]#[O+].[C-]#[O+].[Cr]
InChIInChI=1S/C10H17N.3CO.Cr/c1-10(2,3)9-7-5-6-8-11(9)4;3*1-2;/h5-9H,1-4H3;;;;/t9-;;;;/m0..../s1
InChIKeyGQWZGLIXVDHQII-ZWACTXNCSA-N
XLogP2.30
TPSA62.94 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.28
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-tert-butyl-1-methyl-2H-pyridine;carbon monoxide;chromium?
The IUPAC name of (2S)-2-tert-butyl-1-methyl-2H-pyridine;carbon monoxide;chromium (CID 134981467) is (2S)-2-tert-butyl-1-methyl-2H-pyridine;carbon monoxide;chromium.
What is the SMILES notation for (2S)-2-tert-butyl-1-methyl-2H-pyridine;carbon monoxide;chromium?
The canonical SMILES for (2S)-2-tert-butyl-1-methyl-2H-pyridine;carbon monoxide;chromium is CN1C=CC=C[C@H]1C(C)(C)C.[C-]#[O+].[C-]#[O+].[C-]#[O+].[Cr].
What is the InChIKey of (2S)-2-tert-butyl-1-methyl-2H-pyridine;carbon monoxide;chromium?
The InChIKey is GQWZGLIXVDHQII-ZWACTXNCSA-N. The full InChI is InChI=1S/C10H17N.3CO.Cr/c1-10(2,3)9-7-5-6-8-11(9)4;3*1-2;/h5-9H,1-4H3;;;;/t9-;;;;/m0..../s1.
What are the key properties of (2S)-2-tert-butyl-1-methyl-2H-pyridine;carbon monoxide;chromium?
(2S)-2-tert-butyl-1-methyl-2H-pyridine;carbon monoxide;chromium has a molecular weight of 287.28 g/mol, XLogP of 2.30, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-tert-butyl-1-methyl-2H-pyridine;carbon monoxide;chromium is sourced from PubChem (CID 134981467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).