1-(5-bromofuran-2-yl)-1-(5-fluoro-3-pyridinyl)-N-methylmethanamine

C11H10BrFN2O — CID 115804627

IUPAC1-(5-bromofuran-2-yl)-1-(5-fluoro-3-pyridinyl)-N-methylmethanamine
SMILESCNC(c1cncc(F)c1)c1ccc(Br)o1
InChIInChI=1S/C11H10BrFN2O/c1-14-11(9-2-3-10(12)16-9)7-4-8(13)6-15-5-7/h2-6,11,14H,1H3
InChIKeyXYHHTZTXDHZPID-UHFFFAOYSA-N
MW285.12 g/mol
LogP2.88
Rot. Bonds3

About 1-(5-bromofuran-2-yl)-1-(5-fluoro-3-pyridinyl)-N-methylmethanamine

1-(5-bromofuran-2-yl)-1-(5-fluoro-3-pyridinyl)-N-methylmethanamine (PubChem CID 115804627) has the molecular formula C11H10BrFN2O and a molecular weight of 285.12 g/mol. Its IUPAC name is 1-(5-bromofuran-2-yl)-1-(5-fluoro-3-pyridinyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(5-bromofuran-2-yl)-1-(5-fluoro-3-pyridinyl)-N-methylmethanamine
PubChem CID115804627
Molecular FormulaC11H10BrFN2O
Molecular Weight285.12 g/mol
Exact Mass284.00
IUPAC Name1-(5-bromofuran-2-yl)-1-(5-fluoro-3-pyridinyl)-N-methylmethanamine
SMILESCNC(c1cncc(F)c1)c1ccc(Br)o1
InChIInChI=1S/C11H10BrFN2O/c1-14-11(9-2-3-10(12)16-9)7-4-8(13)6-15-5-7/h2-6,11,14H,1H3
InChIKeyXYHHTZTXDHZPID-UHFFFAOYSA-N
XLogP2.88
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.12
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(5-bromofuran-2-yl)-(5-fluoro-3-pyridinyl)methyl]hydrazine
CID 105288205
1-(4-fluorophenyl)-1-(5-fluoro-3-pyridinyl)-N-methylmethanamine
CID 54967877
1-(4-chlorophenyl)-1-(5-fluoro-3-pyridinyl)-N-methylmethanamine
CID 54967967
1-(5-fluoro-2-pyridinyl)-1-(5-fluoro-3-pyridinyl)-N-methylmethanamine
CID 79712254
1-(5-bromofuran-2-yl)-1-(3-chloro-4-fluorophenyl)-N-methylmethanamine
CID 82874924
1-(3,4-dichlorophenyl)-1-(5-fluoro-3-pyridinyl)-N-methylmethanamine
CID 81492170
1-(4-tert-butylphenyl)-1-(5-fluoro-3-pyridinyl)-N-methylmethanamine
CID 115805098
1-(3-bromo-5-chlorophenyl)-1-(5-fluoro-3-pyridinyl)-N-methylmethanamine
CID 107945193
1-[4-bromo-2-(trifluoromethyl)phenyl]-1-(5-fluoro-3-pyridinyl)-N-methylmethanamine
CID 62688972
1-(5-fluoro-3-pyridinyl)-1-(5-methoxy-3-pyridinyl)-N-methylmethanamine
CID 105175369
1-(5-bromofuran-2-yl)-1-(5-bromothiophen-3-yl)-N-methylmethanamine
CID 107961154
1-(5-fluoro-3-pyridinyl)-N-methyl-1-[4-(trifluoromethyl)-3-pyridinyl]methanamine
CID 102709981

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromofuran-2-yl)-1-(5-fluoro-3-pyridinyl)-N-methylmethanamine?
The IUPAC name of 1-(5-bromofuran-2-yl)-1-(5-fluoro-3-pyridinyl)-N-methylmethanamine (CID 115804627) is 1-(5-bromofuran-2-yl)-1-(5-fluoro-3-pyridinyl)-N-methylmethanamine.
What is the SMILES notation for 1-(5-bromofuran-2-yl)-1-(5-fluoro-3-pyridinyl)-N-methylmethanamine?
The canonical SMILES for 1-(5-bromofuran-2-yl)-1-(5-fluoro-3-pyridinyl)-N-methylmethanamine is CNC(c1cncc(F)c1)c1ccc(Br)o1.
What is the InChIKey of 1-(5-bromofuran-2-yl)-1-(5-fluoro-3-pyridinyl)-N-methylmethanamine?
The InChIKey is XYHHTZTXDHZPID-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrFN2O/c1-14-11(9-2-3-10(12)16-9)7-4-8(13)6-15-5-7/h2-6,11,14H,1H3.
What are the key properties of 1-(5-bromofuran-2-yl)-1-(5-fluoro-3-pyridinyl)-N-methylmethanamine?
1-(5-bromofuran-2-yl)-1-(5-fluoro-3-pyridinyl)-N-methylmethanamine has a molecular weight of 285.12 g/mol, XLogP of 2.88, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromofuran-2-yl)-1-(5-fluoro-3-pyridinyl)-N-methylmethanamine is sourced from PubChem (CID 115804627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).