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

C9H7BrClN3 — CID 169074753

IUPAC3-bromo-2-chloro-N-methyl-1,6-naphthyridin-7-amine
SMILESCNc1cc2nc(Cl)c(Br)cc2cn1
InChIInChI=1S/C9H7BrClN3/c1-12-8-3-7-5(4-13-8)2-6(10)9(11)14-7/h2-4H,1H3,(H,12,13)
InChIKeyIHLGMXBRTMOHAH-UHFFFAOYSA-N
MW272.53 g/mol
LogP3.09
Rot. Bonds1

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

3-bromo-2-chloro-N-methyl-1,6-naphthyridin-7-amine (PubChem CID 169074753) has the molecular formula C9H7BrClN3 and a molecular weight of 272.53 g/mol. Its IUPAC name is 3-bromo-2-chloro-N-methyl-1,6-naphthyridin-7-amine.

Molecular Properties

Compound Name3-bromo-2-chloro-N-methyl-1,6-naphthyridin-7-amine
PubChem CID169074753
Molecular FormulaC9H7BrClN3
Molecular Weight272.53 g/mol
Exact Mass270.95
IUPAC Name3-bromo-2-chloro-N-methyl-1,6-naphthyridin-7-amine
SMILESCNc1cc2nc(Cl)c(Br)cc2cn1
InChIInChI=1S/C9H7BrClN3/c1-12-8-3-7-5(4-13-8)2-6(10)9(11)14-7/h2-4H,1H3,(H,12,13)
InChIKeyIHLGMXBRTMOHAH-UHFFFAOYSA-N
XLogP3.09
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.53
LogP ≤ 53.09
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

CID 5328252
CID 5328252
CID 5328253
CID 5328253
CID 5328249
CID 5328249
CID 5328259
CID 5328259
CID 382059
CID 382059
CID 5328055
CID 5328055
CID 5328056
CID 5328056
CID 5328082
CID 5328082
CID 2072948
CID 2072948
CID 5328307
CID 5328307
CID 5328308
CID 5328308
CID 5328309
CID 5328309

Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-chloro-N-methyl-1,6-naphthyridin-7-amine?
The IUPAC name of 3-bromo-2-chloro-N-methyl-1,6-naphthyridin-7-amine (CID 169074753) is 3-bromo-2-chloro-N-methyl-1,6-naphthyridin-7-amine.
What is the SMILES notation for 3-bromo-2-chloro-N-methyl-1,6-naphthyridin-7-amine?
The canonical SMILES for 3-bromo-2-chloro-N-methyl-1,6-naphthyridin-7-amine is CNc1cc2nc(Cl)c(Br)cc2cn1.
What is the InChIKey of 3-bromo-2-chloro-N-methyl-1,6-naphthyridin-7-amine?
The InChIKey is IHLGMXBRTMOHAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7BrClN3/c1-12-8-3-7-5(4-13-8)2-6(10)9(11)14-7/h2-4H,1H3,(H,12,13).
What are the key properties of 3-bromo-2-chloro-N-methyl-1,6-naphthyridin-7-amine?
3-bromo-2-chloro-N-methyl-1,6-naphthyridin-7-amine has a molecular weight of 272.53 g/mol, XLogP of 3.09, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2-chloro-N-methyl-1,6-naphthyridin-7-amine is sourced from PubChem (CID 169074753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).