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

4-N-(3-bromophenyl)-7-N-methylpyrido[4,3-d]pyrimidine-4,7-diamine
CID 5328252
4-N-(3-bromophenyl)-7-N,7-N-dimethylpyrido[4,3-d]pyrimidine-4,7-diamine
CID 5328253
N-(3-bromophenyl)pyrido[4,3-d]pyrimidin-4-amine
CID 5328249
N-(3-bromophenyl)-6-chloropyrido[3,4-d]pyrimidin-4-amine
CID 5328259
7-Amino-4-[(3-bromophenyl)amino]pyrido[4,3-d]pyrimidine
CID 382059
4-N-(2-bromophenyl)pyrido[4,3-d]pyrimidine-4,7-diamine
CID 5328055
4-N-(4-bromophenyl)pyrido[4,3-d]pyrimidine-4,7-diamine
CID 5328056
4-N-[(3-bromophenyl)methyl]pyrido[4,3-d]pyrimidine-4,7-diamine
CID 5328082
6-bromo-N-(pyridin-3-ylmethyl)quinazolin-4-amine
CID 2072948
4-N-(3-bromophenyl)-7-N-[3-(dimethylamino)propyl]pyrido[4,3-d]pyrimidine-4,7-diamine
CID 5328307
4-N-(3-bromophenyl)-7-N-[4-(dimethylamino)butyl]pyrido[4,3-d]pyrimidine-4,7-diamine
CID 5328308
4-N-(3-bromophenyl)-7-N-[5-(dimethylamino)pentyl]pyrido[4,3-d]pyrimidine-4,7-diamine
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).