2-tert-butyl-7-fluoro-1,5-naphthyridine

C12H13FN2 — CID 171406590

IUPAC2-tert-butyl-7-fluoro-1,5-naphthyridine
SMILESCC(C)(C)c1ccc2ncc(F)cc2n1
InChIInChI=1S/C12H13FN2/c1-12(2,3)11-5-4-9-10(15-11)6-8(13)7-14-9/h4-7H,1-3H3
InChIKeyBSROPMYBBJTKRH-UHFFFAOYSA-N
MW204.25 g/mol
LogP3.07
Rot. Bonds

About 2-tert-butyl-7-fluoro-1,5-naphthyridine

2-tert-butyl-7-fluoro-1,5-naphthyridine (PubChem CID 171406590) has the molecular formula C12H13FN2 and a molecular weight of 204.25 g/mol. Its IUPAC name is 2-tert-butyl-7-fluoro-1,5-naphthyridine.

Molecular Properties

Compound Name2-tert-butyl-7-fluoro-1,5-naphthyridine
PubChem CID171406590
Molecular FormulaC12H13FN2
Molecular Weight204.25 g/mol
Exact Mass204.11
IUPAC Name2-tert-butyl-7-fluoro-1,5-naphthyridine
SMILESCC(C)(C)c1ccc2ncc(F)cc2n1
InChIInChI=1S/C12H13FN2/c1-12(2,3)11-5-4-9-10(15-11)6-8(13)7-14-9/h4-7H,1-3H3
InChIKeyBSROPMYBBJTKRH-UHFFFAOYSA-N
XLogP3.07
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.25
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,7-ditert-butyl-1,5-naphthyridine
CID 171466000
2,7-ditert-butylquinoxaline
CID 134411063
(7-fluoroquinoxalin-2-yl)-trimethylstannane
CID 131748668
2-fluoro-7-methylquinoxaline
CID 10678555
2-tert-butyl-6-methylquinoxaline;propane
CID 142320460
7-tert-butyl-1,5-naphthyridin-2-amine
CID 164792594
6-tert-butyl-2-(2-iodopropan-2-yl)quinoxaline
CID 134414962
6-fluoro-2-(2,2,3,4,4-pentamethylpentan-3-yl)quinoline
CID 126544155
2-tert-butyl-7-fluoroquinazoline
CID 59743754
6-tert-butyl-2-(difluoromethyl)-3-fluoropyridine
CID 155443837
2-tert-butyl-6-(3-methylbutan-2-yl)quinoxaline
CID 134415139
6-ethoxy-3-fluoroquinoline
CID 90101959

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-7-fluoro-1,5-naphthyridine?
The IUPAC name of 2-tert-butyl-7-fluoro-1,5-naphthyridine (CID 171406590) is 2-tert-butyl-7-fluoro-1,5-naphthyridine.
What is the SMILES notation for 2-tert-butyl-7-fluoro-1,5-naphthyridine?
The canonical SMILES for 2-tert-butyl-7-fluoro-1,5-naphthyridine is CC(C)(C)c1ccc2ncc(F)cc2n1.
What is the InChIKey of 2-tert-butyl-7-fluoro-1,5-naphthyridine?
The InChIKey is BSROPMYBBJTKRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN2/c1-12(2,3)11-5-4-9-10(15-11)6-8(13)7-14-9/h4-7H,1-3H3.
What are the key properties of 2-tert-butyl-7-fluoro-1,5-naphthyridine?
2-tert-butyl-7-fluoro-1,5-naphthyridine has a molecular weight of 204.25 g/mol, XLogP of 3.07, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-7-fluoro-1,5-naphthyridine is sourced from PubChem (CID 171406590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).