8-(2-methylpropyl)-1,6-naphthyridine-2-carboxylic acid

C13H14N2O2 — CID 90178145

IUPAC8-(2-methylpropyl)-1,6-naphthyridine-2-carboxylic acid
SMILESCC(C)Cc1cncc2ccc(C(=O)O)nc12
InChIInChI=1S/C13H14N2O2/c1-8(2)5-10-7-14-6-9-3-4-11(13(16)17)15-12(9)10/h3-4,6-8H,5H2,1-2H3,(H,16,17)
InChIKeyNIUQHHDSBAMONT-UHFFFAOYSA-N
MW230.27 g/mol
LogP2.53
Rot. Bonds3

About 8-(2-methylpropyl)-1,6-naphthyridine-2-carboxylic acid

8-(2-methylpropyl)-1,6-naphthyridine-2-carboxylic acid (PubChem CID 90178145) has the molecular formula C13H14N2O2 and a molecular weight of 230.27 g/mol. Its IUPAC name is 8-(2-methylpropyl)-1,6-naphthyridine-2-carboxylic acid.

Molecular Properties

Compound Name8-(2-methylpropyl)-1,6-naphthyridine-2-carboxylic acid
PubChem CID90178145
Molecular FormulaC13H14N2O2
Molecular Weight230.27 g/mol
Exact Mass230.11
IUPAC Name8-(2-methylpropyl)-1,6-naphthyridine-2-carboxylic acid
SMILESCC(C)Cc1cncc2ccc(C(=O)O)nc12
InChIInChI=1S/C13H14N2O2/c1-8(2)5-10-7-14-6-9-3-4-11(13(16)17)15-12(9)10/h3-4,6-8H,5H2,1-2H3,(H,16,17)
InChIKeyNIUQHHDSBAMONT-UHFFFAOYSA-N
XLogP2.53
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-(2-methylpropyl)-1,6-naphthyridine-2-carboxylic acid?
The IUPAC name of 8-(2-methylpropyl)-1,6-naphthyridine-2-carboxylic acid (CID 90178145) is 8-(2-methylpropyl)-1,6-naphthyridine-2-carboxylic acid.
What is the SMILES notation for 8-(2-methylpropyl)-1,6-naphthyridine-2-carboxylic acid?
The canonical SMILES for 8-(2-methylpropyl)-1,6-naphthyridine-2-carboxylic acid is CC(C)Cc1cncc2ccc(C(=O)O)nc12.
What is the InChIKey of 8-(2-methylpropyl)-1,6-naphthyridine-2-carboxylic acid?
The InChIKey is NIUQHHDSBAMONT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2/c1-8(2)5-10-7-14-6-9-3-4-11(13(16)17)15-12(9)10/h3-4,6-8H,5H2,1-2H3,(H,16,17).
What are the key properties of 8-(2-methylpropyl)-1,6-naphthyridine-2-carboxylic acid?
8-(2-methylpropyl)-1,6-naphthyridine-2-carboxylic acid has a molecular weight of 230.27 g/mol, XLogP of 2.53, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2-methylpropyl)-1,6-naphthyridine-2-carboxylic acid is sourced from PubChem (CID 90178145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).