Methyl 6-amino-5-bromonicotinate

• CAS: 180340-70-9
• Catalog Number: ACM180340709
• Category: Bromine Series
• Molecular Weight: 231.05
• Molecular Formula: C₇H₇BrN₂O₂
• Synonyms: ZINC03884060, CID7062276, 180340-70-9
• IUPAC Name: methyl 6-amino-5-bromopyridin-1-ium-3-carboxylate
• Canonical SMILES: COC(=O)C1=CC(=C(N=C1)N)Br
• InChI Key: LNTAAMVZKGYIIA-UHFFFAOYSA-O
• Boiling Point: 323.7ºC at 760mmHg
• Melting Point: 166-168ºC
• Flash Point: 149.6ºC
• Density: 1.662g/cm³
• Exact Mass: 229.96900
• Hazard Statements: Xi: Irritant
• H-Bond Acceptor: 3
• H-Bond Donor: 2

Custom Q&A

What is the molecular formula of methyl 6-amino-5-bromonicotinate?

The molecular formula is C7H7BrN2O2.

What is the molecular weight of methyl 6-amino-5-bromonicotinate?

The molecular weight is 231.05 g/mol.

What is the IUPAC name of methyl 6-amino-5-bromonicotinate?

The IUPAC name is methyl 6-amino-5-bromopyridine-3-carboxylate.

What is the CAS number of methyl 6-amino-5-bromonicotinate?

The CAS number is 180340-70-9.

How many hydrogen bond donor counts does methyl 6-amino-5-bromonicotinate have?

It has 1 hydrogen bond donor count.

How many hydrogen bond acceptor counts does methyl 6-amino-5-bromonicotinate have?

It has 4 hydrogen bond acceptor counts.

What is the topological polar surface area of methyl 6-amino-5-bromonicotinate?

The topological polar surface area is 65.2Ų.

How many rotatable bond counts does methyl 6-amino-5-bromonicotinate have?

It has 2 rotatable bond counts.

What is the exact mass of methyl 6-amino-5-bromonicotinate?

The exact mass is 229.96909 g/mol.

Is methyl 6-amino-5-bromonicotinate a canonicalized compound?

Yes, it is a canonicalized compound.