tert-butyl 1,6-naphthyridine-2-carboxylate

C13H14N2O2 — CID 156739271

IUPACtert-butyl 1,6-naphthyridine-2-carboxylate
SMILESCC(C)(C)OC(=O)c1ccc2cnccc2n1
InChIInChI=1S/C13H14N2O2/c1-13(2,3)17-12(16)11-5-4-9-8-14-7-6-10(9)15-11/h4-8H,1-3H3
InChIKeyAWEKGNFTBKBPIP-UHFFFAOYSA-N
MW230.27 g/mol
LogP2.59
Rot. Bonds1

About tert-butyl 1,6-naphthyridine-2-carboxylate

tert-butyl 1,6-naphthyridine-2-carboxylate (PubChem CID 156739271) has the molecular formula C13H14N2O2 and a molecular weight of 230.27 g/mol. Its IUPAC name is tert-butyl 1,6-naphthyridine-2-carboxylate.

Molecular Properties

Compound Nametert-butyl 1,6-naphthyridine-2-carboxylate
PubChem CID156739271
Molecular FormulaC13H14N2O2
Molecular Weight230.27 g/mol
Exact Mass230.11
IUPAC Nametert-butyl 1,6-naphthyridine-2-carboxylate
SMILESCC(C)(C)OC(=O)c1ccc2cnccc2n1
InChIInChI=1S/C13H14N2O2/c1-13(2,3)17-12(16)11-5-4-9-8-14-7-6-10(9)15-11/h4-8H,1-3H3
InChIKeyAWEKGNFTBKBPIP-UHFFFAOYSA-N
XLogP2.59
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1,6-naphthyridine-2-carboxylate
CID 6930972
1,6-naphthyridine-2-carboxylic acid;hydrochloride
CID 170943375
ditert-butyl 4-pyridin-4-ylpyridine-2,6-dicarboxylate
CID 130276187
tert-butyl [1,3]thiazolo[4,5-c]pyridine-2-carboxylate
CID 133059343
ditert-butyl 3-bromopyridine-2,6-dicarboxylate
CID 134117117
tert-butyl 6-(hydroxymethyl)isoquinoline-7-carboxylate
CID 171588221
tert-butyl 6-chloropyridine-2-carboxylate
CID 53217451
tert-butyl pyridine-3-carboxylate;ethane
CID 174774588
tert-butyl 6-chloro-5-(trifluoromethyl)pyridine-2-carboxylate
CID 119081533
N-(4-chloro-2-methylphenyl)-1,6-naphthyridine-2-carboxamide
CID 91064631
tert-butyl 6-bromoisoquinoline-3-carboxylate
CID 133059720
tert-butyl 5-propan-2-ylpyridine-2-carboxylate
CID 133061148

Frequently Asked Questions

What is the IUPAC name of tert-butyl 1,6-naphthyridine-2-carboxylate?
The IUPAC name of tert-butyl 1,6-naphthyridine-2-carboxylate (CID 156739271) is tert-butyl 1,6-naphthyridine-2-carboxylate.
What is the SMILES notation for tert-butyl 1,6-naphthyridine-2-carboxylate?
The canonical SMILES for tert-butyl 1,6-naphthyridine-2-carboxylate is CC(C)(C)OC(=O)c1ccc2cnccc2n1.
What is the InChIKey of tert-butyl 1,6-naphthyridine-2-carboxylate?
The InChIKey is AWEKGNFTBKBPIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2/c1-13(2,3)17-12(16)11-5-4-9-8-14-7-6-10(9)15-11/h4-8H,1-3H3.
What are the key properties of tert-butyl 1,6-naphthyridine-2-carboxylate?
tert-butyl 1,6-naphthyridine-2-carboxylate has a molecular weight of 230.27 g/mol, XLogP of 2.59, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 1,6-naphthyridine-2-carboxylate is sourced from PubChem (CID 156739271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).