[6-[3-(3-bromo-5-fluorophenyl)-1,2,4-oxadiazol-5-yl]-3-pyridinyl]methanamine

C14H10BrFN4O — CID 81091119

IUPAC[6-[3-(3-bromo-5-fluorophenyl)-1,2,4-oxadiazol-5-yl]-3-pyridinyl]methanamine
SMILESNCc1ccc(-c2nc(-c3cc(F)cc(Br)c3)no2)nc1
InChIInChI=1S/C14H10BrFN4O/c15-10-3-9(4-11(16)5-10)13-19-14(21-20-13)12-2-1-8(6-17)7-18-12/h1-5,7H,6,17H2
InChIKeyMDBCQXBPSMRHMM-UHFFFAOYSA-N
MW349.16 g/mol
LogP3.16
Rot. Bonds3

About [6-[3-(3-bromo-5-fluorophenyl)-1,2,4-oxadiazol-5-yl]-3-pyridinyl]methanamine

[6-[3-(3-bromo-5-fluorophenyl)-1,2,4-oxadiazol-5-yl]-3-pyridinyl]methanamine (PubChem CID 81091119) has the molecular formula C14H10BrFN4O and a molecular weight of 349.16 g/mol. Its IUPAC name is [6-[3-(3-bromo-5-fluorophenyl)-1,2,4-oxadiazol-5-yl]-3-pyridinyl]methanamine.

Molecular Properties

Compound Name[6-[3-(3-bromo-5-fluorophenyl)-1,2,4-oxadiazol-5-yl]-3-pyridinyl]methanamine
PubChem CID81091119
Molecular FormulaC14H10BrFN4O
Molecular Weight349.16 g/mol
Exact Mass348.00
IUPAC Name[6-[3-(3-bromo-5-fluorophenyl)-1,2,4-oxadiazol-5-yl]-3-pyridinyl]methanamine
SMILESNCc1ccc(-c2nc(-c3cc(F)cc(Br)c3)no2)nc1
InChIInChI=1S/C14H10BrFN4O/c15-10-3-9(4-11(16)5-10)13-19-14(21-20-13)12-2-1-8(6-17)7-18-12/h1-5,7H,6,17H2
InChIKeyMDBCQXBPSMRHMM-UHFFFAOYSA-N
XLogP3.16
TPSA77.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.16
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[6-[3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-3-pyridinyl]methanamine
CID 81090077
[6-[3-[(4-bromophenyl)methyl]-1,2,4-oxadiazol-5-yl]-3-pyridinyl]methanamine
CID 81091063
5-[3-(3-bromo-5-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-fluoroaniline
CID 66423613
2-[[3-(3-bromo-5-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]butan-1-amine
CID 81072768
2-[5-(3-bromo-5-fluorophenyl)-1,2,4-oxadiazol-3-yl]propan-1-amine
CID 55101961
[6-[3-(3-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-3-pyridinyl]methanamine
CID 81099704
[6-(3-propyl-1,2,4-oxadiazol-5-yl)-3-pyridinyl]methanamine
CID 81098785
(1R)-1-[3-(3-bromo-5-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2,2-dimethylpropan-1-amine
CID 104899548
4-[3-(3-bromo-5-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-methylphenol
CID 136751174
[6-[3-[(dimethylamino)methyl]-1,2,4-oxadiazol-5-yl]-3-pyridinyl]methanamine
CID 81098491
2-[3-(3-bromo-5-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-ethylbutan-1-amine
CID 115430625
[3-(3-bromo-5-fluorophenyl)-1,2,4-oxadiazol-5-yl]-phenylmethanamine
CID 66425589

Frequently Asked Questions

What is the IUPAC name of [6-[3-(3-bromo-5-fluorophenyl)-1,2,4-oxadiazol-5-yl]-3-pyridinyl]methanamine?
The IUPAC name of [6-[3-(3-bromo-5-fluorophenyl)-1,2,4-oxadiazol-5-yl]-3-pyridinyl]methanamine (CID 81091119) is [6-[3-(3-bromo-5-fluorophenyl)-1,2,4-oxadiazol-5-yl]-3-pyridinyl]methanamine.
What is the SMILES notation for [6-[3-(3-bromo-5-fluorophenyl)-1,2,4-oxadiazol-5-yl]-3-pyridinyl]methanamine?
The canonical SMILES for [6-[3-(3-bromo-5-fluorophenyl)-1,2,4-oxadiazol-5-yl]-3-pyridinyl]methanamine is NCc1ccc(-c2nc(-c3cc(F)cc(Br)c3)no2)nc1.
What is the InChIKey of [6-[3-(3-bromo-5-fluorophenyl)-1,2,4-oxadiazol-5-yl]-3-pyridinyl]methanamine?
The InChIKey is MDBCQXBPSMRHMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrFN4O/c15-10-3-9(4-11(16)5-10)13-19-14(21-20-13)12-2-1-8(6-17)7-18-12/h1-5,7H,6,17H2.
What are the key properties of [6-[3-(3-bromo-5-fluorophenyl)-1,2,4-oxadiazol-5-yl]-3-pyridinyl]methanamine?
[6-[3-(3-bromo-5-fluorophenyl)-1,2,4-oxadiazol-5-yl]-3-pyridinyl]methanamine has a molecular weight of 349.16 g/mol, XLogP of 3.16, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[3-(3-bromo-5-fluorophenyl)-1,2,4-oxadiazol-5-yl]-3-pyridinyl]methanamine is sourced from PubChem (CID 81091119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).