7-bromo-2,5-dimethyl-4aH-1,5-naphthyridine

C10H11BrN2 — CID 144666416

IUPAC7-bromo-2,5-dimethyl-4aH-1,5-naphthyridine
SMILESCC1=NC2=CC(Br)=CN(C)C2C=C1
InChIInChI=1S/C10H11BrN2/c1-7-3-4-10-9(12-7)5-8(11)6-13(10)2/h3-6,10H,1-2H3
InChIKeyFCMYQZYHEXKXHP-UHFFFAOYSA-N
MW239.12 g/mol
LogP2.45
Rot. Bonds

About 7-bromo-2,5-dimethyl-4aH-1,5-naphthyridine

7-bromo-2,5-dimethyl-4aH-1,5-naphthyridine (PubChem CID 144666416) has the molecular formula C10H11BrN2 and a molecular weight of 239.12 g/mol. Its IUPAC name is 7-bromo-2,5-dimethyl-4aH-1,5-naphthyridine.

Molecular Properties

Compound Name7-bromo-2,5-dimethyl-4aH-1,5-naphthyridine
PubChem CID144666416
Molecular FormulaC10H11BrN2
Molecular Weight239.12 g/mol
Exact Mass238.01
IUPAC Name7-bromo-2,5-dimethyl-4aH-1,5-naphthyridine
SMILESCC1=NC2=CC(Br)=CN(C)C2C=C1
InChIInChI=1S/C10H11BrN2/c1-7-3-4-10-9(12-7)5-8(11)6-13(10)2/h3-6,10H,1-2H3
InChIKeyFCMYQZYHEXKXHP-UHFFFAOYSA-N
XLogP2.45
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.12
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-bromo-2,5-dimethyl-4aH-1,5-naphthyridine?
The IUPAC name of 7-bromo-2,5-dimethyl-4aH-1,5-naphthyridine (CID 144666416) is 7-bromo-2,5-dimethyl-4aH-1,5-naphthyridine.
What is the SMILES notation for 7-bromo-2,5-dimethyl-4aH-1,5-naphthyridine?
The canonical SMILES for 7-bromo-2,5-dimethyl-4aH-1,5-naphthyridine is CC1=NC2=CC(Br)=CN(C)C2C=C1.
What is the InChIKey of 7-bromo-2,5-dimethyl-4aH-1,5-naphthyridine?
The InChIKey is FCMYQZYHEXKXHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrN2/c1-7-3-4-10-9(12-7)5-8(11)6-13(10)2/h3-6,10H,1-2H3.
What are the key properties of 7-bromo-2,5-dimethyl-4aH-1,5-naphthyridine?
7-bromo-2,5-dimethyl-4aH-1,5-naphthyridine has a molecular weight of 239.12 g/mol, XLogP of 2.45, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-2,5-dimethyl-4aH-1,5-naphthyridine is sourced from PubChem (CID 144666416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).