2-pentyl-1,8-naphthyridine

C13H16N2 — CID 11481079

IUPAC2-pentyl-1,8-naphthyridine
SMILESCCCCCc1ccc2cccnc2n1
InChIInChI=1S/C13H16N2/c1-2-3-4-7-12-9-8-11-6-5-10-14-13(11)15-12/h5-6,8-10H,2-4,7H2,1H3
InChIKeyUTNVYZGZIFKNGN-UHFFFAOYSA-N
MW200.28 g/mol
LogP3.36
Rot. Bonds4

About 2-pentyl-1,8-naphthyridine

2-pentyl-1,8-naphthyridine (PubChem CID 11481079) has the molecular formula C13H16N2 and a molecular weight of 200.28 g/mol. Its IUPAC name is 2-pentyl-1,8-naphthyridine.

Molecular Properties

Compound Name2-pentyl-1,8-naphthyridine
PubChem CID11481079
Molecular FormulaC13H16N2
Molecular Weight200.28 g/mol
Exact Mass200.13
IUPAC Name2-pentyl-1,8-naphthyridine
SMILESCCCCCc1ccc2cccnc2n1
InChIInChI=1S/C13H16N2/c1-2-3-4-7-12-9-8-11-6-5-10-14-13(11)15-12/h5-6,8-10H,2-4,7H2,1H3
InChIKeyUTNVYZGZIFKNGN-UHFFFAOYSA-N
XLogP3.36
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-heptyl-1,10-phenanthroline
CID 150280165
ethane;5-(1,8-naphthyridin-2-yl)pentanoic acid
CID 162436158
4-(1,8-naphthyridin-2-yl)butanoic acid
CID 25419194
methyl 5-(1,8-naphthyridin-2-yl)pentanoate
CID 11447926
2-(methoxymethyl)-1,8-naphthyridine
CID 154147005
2,6-dipentylpyridine
CID 58097448
ethane;2-methylpyrimidine;9-(1,8-naphthyridin-2-yl)nonanoic acid;propane
CID 142124953
1,8-naphthyridine;propane
CID 142433930
4-hexyl-2-pyrimidin-2-ylpyrimidine
CID 67173308
2-(4-methylphenyl)-5-[4-(1,8-naphthyridin-2-yl)butyl]-1,3,4-oxadiazole
CID 170211630
2,6-didodecylpyridine
CID 90943274
2-undecylpyridine
CID 66882765

Frequently Asked Questions

What is the IUPAC name of 2-pentyl-1,8-naphthyridine?
The IUPAC name of 2-pentyl-1,8-naphthyridine (CID 11481079) is 2-pentyl-1,8-naphthyridine.
What is the SMILES notation for 2-pentyl-1,8-naphthyridine?
The canonical SMILES for 2-pentyl-1,8-naphthyridine is CCCCCc1ccc2cccnc2n1.
What is the InChIKey of 2-pentyl-1,8-naphthyridine?
The InChIKey is UTNVYZGZIFKNGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2/c1-2-3-4-7-12-9-8-11-6-5-10-14-13(11)15-12/h5-6,8-10H,2-4,7H2,1H3.
What are the key properties of 2-pentyl-1,8-naphthyridine?
2-pentyl-1,8-naphthyridine has a molecular weight of 200.28 g/mol, XLogP of 3.36, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pentyl-1,8-naphthyridine is sourced from PubChem (CID 11481079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).