6-bromo-N-[(2-bromo-4-fluorophenyl)methyl]-5-methylpyridin-3-amine

C13H11Br2FN2 — CID 114059939

IUPAC6-bromo-N-[(2-bromo-4-fluorophenyl)methyl]-5-methylpyridin-3-amine
SMILESCc1cc(NCc2ccc(F)cc2Br)cnc1Br
InChIInChI=1S/C13H11Br2FN2/c1-8-4-11(7-18-13(8)15)17-6-9-2-3-10(16)5-12(9)14/h2-5,7,17H,6H2,1H3
InChIKeyKHMHGKAIIHLKDK-UHFFFAOYSA-N
MW374.05 g/mol
LogP4.67
Rot. Bonds3

About 6-bromo-N-[(2-bromo-4-fluorophenyl)methyl]-5-methylpyridin-3-amine

6-bromo-N-[(2-bromo-4-fluorophenyl)methyl]-5-methylpyridin-3-amine (PubChem CID 114059939) has the molecular formula C13H11Br2FN2 and a molecular weight of 374.05 g/mol. Its IUPAC name is 6-bromo-N-[(2-bromo-4-fluorophenyl)methyl]-5-methylpyridin-3-amine.

Molecular Properties

Compound Name6-bromo-N-[(2-bromo-4-fluorophenyl)methyl]-5-methylpyridin-3-amine
PubChem CID114059939
Molecular FormulaC13H11Br2FN2
Molecular Weight374.05 g/mol
Exact Mass371.93
IUPAC Name6-bromo-N-[(2-bromo-4-fluorophenyl)methyl]-5-methylpyridin-3-amine
SMILESCc1cc(NCc2ccc(F)cc2Br)cnc1Br
InChIInChI=1S/C13H11Br2FN2/c1-8-4-11(7-18-13(8)15)17-6-9-2-3-10(16)5-12(9)14/h2-5,7,17H,6H2,1H3
InChIKeyKHMHGKAIIHLKDK-UHFFFAOYSA-N
XLogP4.67
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.05
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

6-bromo-N-[(2,5-difluorophenyl)methyl]-5-methylpyridin-3-amine
CID 113379891
N-[(2-bromo-4-fluorophenyl)methyl]-4-fluoro-3-methylaniline
CID 55196577
2-[[(6-bromo-5-methyl-3-pyridinyl)amino]methyl]-4-methylphenol
CID 113379903
N-[(2-bromo-4-fluorophenyl)methyl]-2-methylaniline
CID 28585998
4-bromo-N-[(2-bromo-4-fluorophenyl)methyl]-3-fluoroaniline
CID 65437532
N-[(2-bromo-4-fluorophenyl)methyl]-4-iodoaniline
CID 28884630
N-[(2-bromo-4-fluorophenyl)methyl]-4-propan-2-ylaniline
CID 28511745
N-[(2-bromo-4-fluorophenyl)methyl]-6-methylpyrazin-2-amine
CID 133468470
4-bromo-N-[(2-chloro-4-fluorophenyl)methyl]-3,5-dimethylaniline
CID 107573481
1-(2-bromo-4-fluorophenyl)-N-[(5-methylpyrazin-2-yl)methyl]methanamine
CID 62848282
N-[(2-bromo-4-fluorophenyl)methyl]-3-methoxyaniline
CID 28585613
N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-5-methylpyridin-3-amine
CID 103824022

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-[(2-bromo-4-fluorophenyl)methyl]-5-methylpyridin-3-amine?
The IUPAC name of 6-bromo-N-[(2-bromo-4-fluorophenyl)methyl]-5-methylpyridin-3-amine (CID 114059939) is 6-bromo-N-[(2-bromo-4-fluorophenyl)methyl]-5-methylpyridin-3-amine.
What is the SMILES notation for 6-bromo-N-[(2-bromo-4-fluorophenyl)methyl]-5-methylpyridin-3-amine?
The canonical SMILES for 6-bromo-N-[(2-bromo-4-fluorophenyl)methyl]-5-methylpyridin-3-amine is Cc1cc(NCc2ccc(F)cc2Br)cnc1Br.
What is the InChIKey of 6-bromo-N-[(2-bromo-4-fluorophenyl)methyl]-5-methylpyridin-3-amine?
The InChIKey is KHMHGKAIIHLKDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11Br2FN2/c1-8-4-11(7-18-13(8)15)17-6-9-2-3-10(16)5-12(9)14/h2-5,7,17H,6H2,1H3.
What are the key properties of 6-bromo-N-[(2-bromo-4-fluorophenyl)methyl]-5-methylpyridin-3-amine?
6-bromo-N-[(2-bromo-4-fluorophenyl)methyl]-5-methylpyridin-3-amine has a molecular weight of 374.05 g/mol, XLogP of 4.67, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-[(2-bromo-4-fluorophenyl)methyl]-5-methylpyridin-3-amine is sourced from PubChem (CID 114059939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).