8-tert-butyl-5-methyl-1,6-naphthyridine

C13H16N2 — CID 170078486

IUPAC8-tert-butyl-5-methyl-1,6-naphthyridine
SMILESCc1ncc(C(C)(C)C)c2ncccc12
InChIInChI=1S/C13H16N2/c1-9-10-6-5-7-14-12(10)11(8-15-9)13(2,3)4/h5-8H,1-4H3
InChIKeyRXPRBIHGVCMEHC-UHFFFAOYSA-N
MW200.28 g/mol
LogP3.24
Rot. Bonds

About 8-tert-butyl-5-methyl-1,6-naphthyridine

8-tert-butyl-5-methyl-1,6-naphthyridine (PubChem CID 170078486) has the molecular formula C13H16N2 and a molecular weight of 200.28 g/mol. Its IUPAC name is 8-tert-butyl-5-methyl-1,6-naphthyridine.

Molecular Properties

Compound Name8-tert-butyl-5-methyl-1,6-naphthyridine
PubChem CID170078486
Molecular FormulaC13H16N2
Molecular Weight200.28 g/mol
Exact Mass200.13
IUPAC Name8-tert-butyl-5-methyl-1,6-naphthyridine
SMILESCc1ncc(C(C)(C)C)c2ncccc12
InChIInChI=1S/C13H16N2/c1-9-10-6-5-7-14-12(10)11(8-15-9)13(2,3)4/h5-8H,1-4H3
InChIKeyRXPRBIHGVCMEHC-UHFFFAOYSA-N
XLogP3.24
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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3,8-ditert-butyl-4-methoxyquinoline
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7-tert-butyl-8-methylquinoline
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3-tert-butyl-5-[(3-tert-butyl-2-pyridinyl)methylperoxy]-2-methylpyridine
CID 167078384
2-(2-methyl-3-pyridinyl)propan-2-ol
CID 45091732
7-tert-butyl-5-iodo-8-methoxyquinoline
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Frequently Asked Questions

What is the IUPAC name of 8-tert-butyl-5-methyl-1,6-naphthyridine?
The IUPAC name of 8-tert-butyl-5-methyl-1,6-naphthyridine (CID 170078486) is 8-tert-butyl-5-methyl-1,6-naphthyridine.
What is the SMILES notation for 8-tert-butyl-5-methyl-1,6-naphthyridine?
The canonical SMILES for 8-tert-butyl-5-methyl-1,6-naphthyridine is Cc1ncc(C(C)(C)C)c2ncccc12.
What is the InChIKey of 8-tert-butyl-5-methyl-1,6-naphthyridine?
The InChIKey is RXPRBIHGVCMEHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2/c1-9-10-6-5-7-14-12(10)11(8-15-9)13(2,3)4/h5-8H,1-4H3.
What are the key properties of 8-tert-butyl-5-methyl-1,6-naphthyridine?
8-tert-butyl-5-methyl-1,6-naphthyridine has a molecular weight of 200.28 g/mol, XLogP of 3.24, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-tert-butyl-5-methyl-1,6-naphthyridine is sourced from PubChem (CID 170078486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).