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

C12H9Br2FN2 — CID 113452010

IUPAC3-bromo-N-[(2-bromo-5-fluorophenyl)methyl]pyridin-4-amine
SMILESFc1ccc(Br)c(CNc2ccncc2Br)c1
InChIInChI=1S/C12H9Br2FN2/c13-10-2-1-9(15)5-8(10)6-17-12-3-4-16-7-11(12)14/h1-5,7H,6H2,(H,16,17)
InChIKeyKRWBIGHQVPQGMK-UHFFFAOYSA-N
MW360.02 g/mol
LogP4.36
Rot. Bonds3

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

3-bromo-N-[(2-bromo-5-fluorophenyl)methyl]pyridin-4-amine (PubChem CID 113452010) has the molecular formula C12H9Br2FN2 and a molecular weight of 360.02 g/mol. Its IUPAC name is 3-bromo-N-[(2-bromo-5-fluorophenyl)methyl]pyridin-4-amine.

Molecular Properties

Compound Name3-bromo-N-[(2-bromo-5-fluorophenyl)methyl]pyridin-4-amine
PubChem CID113452010
Molecular FormulaC12H9Br2FN2
Molecular Weight360.02 g/mol
Exact Mass357.91
IUPAC Name3-bromo-N-[(2-bromo-5-fluorophenyl)methyl]pyridin-4-amine
SMILESFc1ccc(Br)c(CNc2ccncc2Br)c1
InChIInChI=1S/C12H9Br2FN2/c13-10-2-1-9(15)5-8(10)6-17-12-3-4-16-7-11(12)14/h1-5,7H,6H2,(H,16,17)
InChIKeyKRWBIGHQVPQGMK-UHFFFAOYSA-N
XLogP4.36
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.02
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2-bromo-5-fluorophenyl)methyl]-5-fluoro-2-methylaniline
CID 28532250
N-[(2-bromo-5-fluorophenyl)methyl]-2,3,4-trifluoroaniline
CID 28574347
3-bromo-N-[(3,4-difluorophenyl)methyl]pyridin-4-amine
CID 113452020
N-[(2-bromo-5-fluorophenyl)methyl]-5-chloro-2-fluoroaniline
CID 43381942
2-bromo-4-fluoro-N-(isoquinolin-5-ylmethyl)aniline
CID 62824778
N-[(2-bromo-5-fluorophenyl)methyl]-2-pyridin-4-ylethanamine
CID 60902552
4-N-[(2-bromo-5-fluorophenyl)methyl]pyridine-2,4-diamine
CID 113368317
N-[(2-bromo-5-fluorophenyl)methyl]-2,5-dichloro-4-methylaniline
CID 104726869
N-[(2-bromo-5-fluorophenyl)methyl]-5-fluoro-2-nitroaniline
CID 62376249
N-[(2,5-difluorophenyl)methyl]-3-nitropyridin-4-amine
CID 10084201
5-bromo-2-[(2-bromo-5-fluorophenyl)methylamino]benzonitrile
CID 82707599
N-[(2-bromo-5-chlorophenyl)methyl]-4-methylpyridin-3-amine
CID 66161162

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[(2-bromo-5-fluorophenyl)methyl]pyridin-4-amine?
The IUPAC name of 3-bromo-N-[(2-bromo-5-fluorophenyl)methyl]pyridin-4-amine (CID 113452010) is 3-bromo-N-[(2-bromo-5-fluorophenyl)methyl]pyridin-4-amine.
What is the SMILES notation for 3-bromo-N-[(2-bromo-5-fluorophenyl)methyl]pyridin-4-amine?
The canonical SMILES for 3-bromo-N-[(2-bromo-5-fluorophenyl)methyl]pyridin-4-amine is Fc1ccc(Br)c(CNc2ccncc2Br)c1.
What is the InChIKey of 3-bromo-N-[(2-bromo-5-fluorophenyl)methyl]pyridin-4-amine?
The InChIKey is KRWBIGHQVPQGMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9Br2FN2/c13-10-2-1-9(15)5-8(10)6-17-12-3-4-16-7-11(12)14/h1-5,7H,6H2,(H,16,17).
What are the key properties of 3-bromo-N-[(2-bromo-5-fluorophenyl)methyl]pyridin-4-amine?
3-bromo-N-[(2-bromo-5-fluorophenyl)methyl]pyridin-4-amine has a molecular weight of 360.02 g/mol, XLogP of 4.36, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[(2-bromo-5-fluorophenyl)methyl]pyridin-4-amine is sourced from PubChem (CID 113452010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).