7-bromo-3-methyl-2,6-naphthyridin-1-amine

C9H8BrN3 — CID 170968436

IUPAC7-bromo-3-methyl-2,6-naphthyridin-1-amine
SMILESCc1cc2cnc(Br)cc2c(N)n1
InChIInChI=1S/C9H8BrN3/c1-5-2-6-4-12-8(10)3-7(6)9(11)13-5/h2-4H,1H3,(H2,11,13)
InChIKeyJBOCXLOMTDKNEE-UHFFFAOYSA-N
MW238.09 g/mol
LogP2.28
Rot. Bonds

About 7-bromo-3-methyl-2,6-naphthyridin-1-amine

7-bromo-3-methyl-2,6-naphthyridin-1-amine (PubChem CID 170968436) has the molecular formula C9H8BrN3 and a molecular weight of 238.09 g/mol. Its IUPAC name is 7-bromo-3-methyl-2,6-naphthyridin-1-amine.

Molecular Properties

Compound Name7-bromo-3-methyl-2,6-naphthyridin-1-amine
PubChem CID170968436
Molecular FormulaC9H8BrN3
Molecular Weight238.09 g/mol
Exact Mass236.99
IUPAC Name7-bromo-3-methyl-2,6-naphthyridin-1-amine
SMILESCc1cc2cnc(Br)cc2c(N)n1
InChIInChI=1S/C9H8BrN3/c1-5-2-6-4-12-8(10)3-7(6)9(11)13-5/h2-4H,1H3,(H2,11,13)
InChIKeyJBOCXLOMTDKNEE-UHFFFAOYSA-N
XLogP2.28
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.09
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

3-bromo-6-methylpyrazin-2-amine
CID 129011231
6-methyl-1H-pyrazolo[4,5-c]pyridin-4-amine
CID 69175478
6-fluoro-3-methylisoquinolin-1-amine
CID 115014668
6-bromopyridine-3,4-diamine
CID 18788657
3,7-dibromoisoquinolin-6-amine
CID 118577185
3,5-dibromoisoquinoline
CID 125180315
2,4-dibromo-5-methylpyridine
CID 12643719
6-methylpyridine-2,3,4-triamine
CID 55281971
3-(2,6-dichloro-3,5-dimethoxyphenyl)-7-methyl-2,6-naphthyridin-1-amine
CID 135179837
2-bromo-4-(difluoromethyl)-5-methylpyridine
CID 130095038
3,5-dibromopyrazin-2-amine;ethane
CID 143486522
3,6-dibromopyrazin-2-amine;ethane
CID 143578228

Frequently Asked Questions

What is the IUPAC name of 7-bromo-3-methyl-2,6-naphthyridin-1-amine?
The IUPAC name of 7-bromo-3-methyl-2,6-naphthyridin-1-amine (CID 170968436) is 7-bromo-3-methyl-2,6-naphthyridin-1-amine.
What is the SMILES notation for 7-bromo-3-methyl-2,6-naphthyridin-1-amine?
The canonical SMILES for 7-bromo-3-methyl-2,6-naphthyridin-1-amine is Cc1cc2cnc(Br)cc2c(N)n1.
What is the InChIKey of 7-bromo-3-methyl-2,6-naphthyridin-1-amine?
The InChIKey is JBOCXLOMTDKNEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8BrN3/c1-5-2-6-4-12-8(10)3-7(6)9(11)13-5/h2-4H,1H3,(H2,11,13).
What are the key properties of 7-bromo-3-methyl-2,6-naphthyridin-1-amine?
7-bromo-3-methyl-2,6-naphthyridin-1-amine has a molecular weight of 238.09 g/mol, XLogP of 2.28, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-3-methyl-2,6-naphthyridin-1-amine is sourced from PubChem (CID 170968436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).