N-[(3-bromo-2-pyridinyl)-(3-fluoro-4-pyridinyl)methyl]ethanamine

C13H13BrFN3 — CID 104738716

IUPACN-[(3-bromo-2-pyridinyl)-(3-fluoro-4-pyridinyl)methyl]ethanamine
SMILESCCNC(c1ccncc1F)c1ncccc1Br
InChIInChI=1S/C13H13BrFN3/c1-2-17-12(9-5-7-16-8-11(9)15)13-10(14)4-3-6-18-13/h3-8,12,17H,2H2,1H3
InChIKeyVQCXXNVCKVRSRV-UHFFFAOYSA-N
MW310.17 g/mol
LogP3.08
Rot. Bonds4

About N-[(3-bromo-2-pyridinyl)-(3-fluoro-4-pyridinyl)methyl]ethanamine

N-[(3-bromo-2-pyridinyl)-(3-fluoro-4-pyridinyl)methyl]ethanamine (PubChem CID 104738716) has the molecular formula C13H13BrFN3 and a molecular weight of 310.17 g/mol. Its IUPAC name is N-[(3-bromo-2-pyridinyl)-(3-fluoro-4-pyridinyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(3-bromo-2-pyridinyl)-(3-fluoro-4-pyridinyl)methyl]ethanamine
PubChem CID104738716
Molecular FormulaC13H13BrFN3
Molecular Weight310.17 g/mol
Exact Mass309.03
IUPAC NameN-[(3-bromo-2-pyridinyl)-(3-fluoro-4-pyridinyl)methyl]ethanamine
SMILESCCNC(c1ccncc1F)c1ncccc1Br
InChIInChI=1S/C13H13BrFN3/c1-2-17-12(9-5-7-16-8-11(9)15)13-10(14)4-3-6-18-13/h3-8,12,17H,2H2,1H3
InChIKeyVQCXXNVCKVRSRV-UHFFFAOYSA-N
XLogP3.08
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.17
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-bromo-2-pyridinyl)-(2-fluoro-4-methoxyphenyl)methyl]ethanamine
CID 103395826
N-[(4-bromo-2,6-difluorophenyl)-(3-fluoro-4-pyridinyl)methyl]ethanamine
CID 105038311
N-[(3-fluoro-4-pyridinyl)-pyrimidin-4-ylmethyl]ethanamine
CID 104738234
N-[(3-fluoro-4-pyridinyl)-(3,4,5-trifluorophenyl)methyl]ethanamine
CID 104738170
N-[(3-fluoro-4-pyridinyl)-(1H-imidazol-2-yl)methyl]ethanamine
CID 104738570
N-[(4-bromo-2-chlorophenyl)-(3-fluoro-4-pyridinyl)methyl]ethanamine
CID 105038084
N-[(3-fluoro-4-pyridinyl)-pyrimidin-2-ylmethyl]propan-1-amine
CID 113447225
N-[(2-chloro-6-fluorophenyl)-(3-fluoro-4-pyridinyl)methyl]ethanamine
CID 105038137
N-[(2,6-difluoro-3-methylphenyl)-(3-fluoro-4-pyridinyl)methyl]ethanamine
CID 82822811
N-[(3-fluoro-4-pyridinyl)-quinoxalin-6-ylmethyl]ethanamine
CID 104738240
N-[(3-fluoro-4-pyridinyl)-quinolin-2-ylmethyl]ethanamine
CID 104738216
N-[(3-ethyl-2-pyridinyl)-(4-methyl-3-pyridinyl)methyl]ethanamine
CID 82729895

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromo-2-pyridinyl)-(3-fluoro-4-pyridinyl)methyl]ethanamine?
The IUPAC name of N-[(3-bromo-2-pyridinyl)-(3-fluoro-4-pyridinyl)methyl]ethanamine (CID 104738716) is N-[(3-bromo-2-pyridinyl)-(3-fluoro-4-pyridinyl)methyl]ethanamine.
What is the SMILES notation for N-[(3-bromo-2-pyridinyl)-(3-fluoro-4-pyridinyl)methyl]ethanamine?
The canonical SMILES for N-[(3-bromo-2-pyridinyl)-(3-fluoro-4-pyridinyl)methyl]ethanamine is CCNC(c1ccncc1F)c1ncccc1Br.
What is the InChIKey of N-[(3-bromo-2-pyridinyl)-(3-fluoro-4-pyridinyl)methyl]ethanamine?
The InChIKey is VQCXXNVCKVRSRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrFN3/c1-2-17-12(9-5-7-16-8-11(9)15)13-10(14)4-3-6-18-13/h3-8,12,17H,2H2,1H3.
What are the key properties of N-[(3-bromo-2-pyridinyl)-(3-fluoro-4-pyridinyl)methyl]ethanamine?
N-[(3-bromo-2-pyridinyl)-(3-fluoro-4-pyridinyl)methyl]ethanamine has a molecular weight of 310.17 g/mol, XLogP of 3.08, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromo-2-pyridinyl)-(3-fluoro-4-pyridinyl)methyl]ethanamine is sourced from PubChem (CID 104738716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).