3-[(5-bromo-2-fluorophenyl)-(methylamino)methyl]-5-chloropyridin-2-amine

C13H12BrClFN3 — CID 114894706

IUPAC3-[(5-bromo-2-fluorophenyl)-(methylamino)methyl]-5-chloropyridin-2-amine
SMILESCNC(c1cc(Br)ccc1F)c1cc(Cl)cnc1N
InChIInChI=1S/C13H12BrClFN3/c1-18-12(9-4-7(14)2-3-11(9)16)10-5-8(15)6-19-13(10)17/h2-6,12,18H,1H3,(H2,17,19)
InChIKeyDAPZGDOAOSTNQK-UHFFFAOYSA-N
MW344.62 g/mol
LogP3.53
Rot. Bonds3

About 3-[(5-bromo-2-fluorophenyl)-(methylamino)methyl]-5-chloropyridin-2-amine

3-[(5-bromo-2-fluorophenyl)-(methylamino)methyl]-5-chloropyridin-2-amine (PubChem CID 114894706) has the molecular formula C13H12BrClFN3 and a molecular weight of 344.62 g/mol. Its IUPAC name is 3-[(5-bromo-2-fluorophenyl)-(methylamino)methyl]-5-chloropyridin-2-amine.

Molecular Properties

Compound Name3-[(5-bromo-2-fluorophenyl)-(methylamino)methyl]-5-chloropyridin-2-amine
PubChem CID114894706
Molecular FormulaC13H12BrClFN3
Molecular Weight344.62 g/mol
Exact Mass342.99
IUPAC Name3-[(5-bromo-2-fluorophenyl)-(methylamino)methyl]-5-chloropyridin-2-amine
SMILESCNC(c1cc(Br)ccc1F)c1cc(Cl)cnc1N
InChIInChI=1S/C13H12BrClFN3/c1-18-12(9-4-7(14)2-3-11(9)16)10-5-8(15)6-19-13(10)17/h2-6,12,18H,1H3,(H2,17,19)
InChIKeyDAPZGDOAOSTNQK-UHFFFAOYSA-N
XLogP3.53
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.62
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-bromo-2-fluorophenyl)-1-(2,5-difluorophenyl)-N-methylmethanamine
CID 43482895
1-(5-bromo-2-fluorophenyl)-N-methyl-1-(2,4,5-trifluorophenyl)methanamine
CID 103302180
1-(5-bromo-2-methoxyphenyl)-1-(5-chloro-2-fluorophenyl)-N-methylmethanamine
CID 43480054
5-chloro-3-[(3,4-dichlorophenyl)-(methylamino)methyl]pyridin-2-amine
CID 81492008
1-(5-bromo-2-fluorophenyl)-1-(4-bromo-2-methylphenyl)-N-methylmethanamine
CID 105011744
1-(5-bromo-2-fluorophenyl)-1-(3-chlorothiophen-2-yl)-N-methylmethanamine
CID 80529266
1-(5-bromo-2-chlorophenyl)-N-methyl-1-(2,4,5-trifluorophenyl)methanamine
CID 103302141
1-(4-bromo-2-fluorophenyl)-1-(4-chloro-2-fluorophenyl)-N-methylmethanamine
CID 114906262
1-(5-bromo-2-fluorophenyl)-N-methyl-1-(2,4,6-trifluorophenyl)methanamine
CID 43483186
1-(5-bromo-2-fluorophenyl)-N-methyl-1-(2-methylfuran-3-yl)methanamine
CID 104789896
1-(5-bromo-2-methylphenyl)-1-(2-chloro-4-fluoro-5-methylphenyl)-N-methylmethanamine
CID 81045205
1-(5-bromo-2-fluorophenyl)-1-isoquinolin-5-yl-N-methylmethanamine
CID 114894681

Frequently Asked Questions

What is the IUPAC name of 3-[(5-bromo-2-fluorophenyl)-(methylamino)methyl]-5-chloropyridin-2-amine?
The IUPAC name of 3-[(5-bromo-2-fluorophenyl)-(methylamino)methyl]-5-chloropyridin-2-amine (CID 114894706) is 3-[(5-bromo-2-fluorophenyl)-(methylamino)methyl]-5-chloropyridin-2-amine.
What is the SMILES notation for 3-[(5-bromo-2-fluorophenyl)-(methylamino)methyl]-5-chloropyridin-2-amine?
The canonical SMILES for 3-[(5-bromo-2-fluorophenyl)-(methylamino)methyl]-5-chloropyridin-2-amine is CNC(c1cc(Br)ccc1F)c1cc(Cl)cnc1N.
What is the InChIKey of 3-[(5-bromo-2-fluorophenyl)-(methylamino)methyl]-5-chloropyridin-2-amine?
The InChIKey is DAPZGDOAOSTNQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrClFN3/c1-18-12(9-4-7(14)2-3-11(9)16)10-5-8(15)6-19-13(10)17/h2-6,12,18H,1H3,(H2,17,19).
What are the key properties of 3-[(5-bromo-2-fluorophenyl)-(methylamino)methyl]-5-chloropyridin-2-amine?
3-[(5-bromo-2-fluorophenyl)-(methylamino)methyl]-5-chloropyridin-2-amine has a molecular weight of 344.62 g/mol, XLogP of 3.53, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-bromo-2-fluorophenyl)-(methylamino)methyl]-5-chloropyridin-2-amine is sourced from PubChem (CID 114894706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).