[5-bromo-2-(1,1,1-trifluoropropan-2-yloxy)-3-pyridinyl]methanamine

C9H10BrF3N2O — CID 66274656

IUPAC[5-bromo-2-(1,1,1-trifluoropropan-2-yloxy)-3-pyridinyl]methanamine
SMILESCC(Oc1ncc(Br)cc1CN)C(F)(F)F
InChIInChI=1S/C9H10BrF3N2O/c1-5(9(11,12)13)16-8-6(3-14)2-7(10)4-15-8/h2,4-5H,3,14H2,1H3
InChIKeyDCZPAVZCERFQBZ-UHFFFAOYSA-N
MW299.09 g/mol
LogP2.63
Rot. Bonds3

About [5-bromo-2-(1,1,1-trifluoropropan-2-yloxy)-3-pyridinyl]methanamine

[5-bromo-2-(1,1,1-trifluoropropan-2-yloxy)-3-pyridinyl]methanamine (PubChem CID 66274656) has the molecular formula C9H10BrF3N2O and a molecular weight of 299.09 g/mol. Its IUPAC name is [5-bromo-2-(1,1,1-trifluoropropan-2-yloxy)-3-pyridinyl]methanamine.

Molecular Properties

Compound Name[5-bromo-2-(1,1,1-trifluoropropan-2-yloxy)-3-pyridinyl]methanamine
PubChem CID66274656
Molecular FormulaC9H10BrF3N2O
Molecular Weight299.09 g/mol
Exact Mass297.99
IUPAC Name[5-bromo-2-(1,1,1-trifluoropropan-2-yloxy)-3-pyridinyl]methanamine
SMILESCC(Oc1ncc(Br)cc1CN)C(F)(F)F
InChIInChI=1S/C9H10BrF3N2O/c1-5(9(11,12)13)16-8-6(3-14)2-7(10)4-15-8/h2,4-5H,3,14H2,1H3
InChIKeyDCZPAVZCERFQBZ-UHFFFAOYSA-N
XLogP2.63
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.09
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[5-bromo-2-(1,1,1-trifluoropropan-2-yloxy)-3-pyridinyl]methyl]propan-1-amine
CID 66276171
5-bromo-3-chloro-2-(1,1,1-trifluoropropan-2-yloxy)pyridine
CID 103583728
[5-bromo-2-(4-butan-2-ylphenoxy)-3-pyridinyl]methanamine
CID 107668185
5-bromo-4-methyl-6-(1,1,1-trifluoropropan-2-yloxy)pyridin-3-amine
CID 104507370
[5-bromo-2-(2-fluorophenoxy)-3-pyridinyl]methanamine
CID 62298344
[5-bromo-2-(4-bromo-2-fluorophenoxy)-3-pyridinyl]methanamine
CID 62322750
3-(aminomethyl)-5-bromo-N-propan-2-yl-N-(2,2,2-trifluoroethyl)pyridin-2-amine
CID 62284304
[5-bromo-2-(4-methylphenoxy)-3-pyridinyl]methanamine
CID 55058835
[5-bromo-2-(2,4-dibromophenoxy)-3-pyridinyl]methanamine
CID 64721342
[5-bromo-2-(2-fluoro-5-methylphenoxy)-3-pyridinyl]methanamine
CID 64854885
[5-bromo-2-[(2-fluorophenyl)methoxy]-3-pyridinyl]methanamine
CID 63937782
[5-bromo-2-[(4-methoxyphenyl)methoxy]-3-pyridinyl]methanamine
CID 62291690

Frequently Asked Questions

What is the IUPAC name of [5-bromo-2-(1,1,1-trifluoropropan-2-yloxy)-3-pyridinyl]methanamine?
The IUPAC name of [5-bromo-2-(1,1,1-trifluoropropan-2-yloxy)-3-pyridinyl]methanamine (CID 66274656) is [5-bromo-2-(1,1,1-trifluoropropan-2-yloxy)-3-pyridinyl]methanamine.
What is the SMILES notation for [5-bromo-2-(1,1,1-trifluoropropan-2-yloxy)-3-pyridinyl]methanamine?
The canonical SMILES for [5-bromo-2-(1,1,1-trifluoropropan-2-yloxy)-3-pyridinyl]methanamine is CC(Oc1ncc(Br)cc1CN)C(F)(F)F.
What is the InChIKey of [5-bromo-2-(1,1,1-trifluoropropan-2-yloxy)-3-pyridinyl]methanamine?
The InChIKey is DCZPAVZCERFQBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrF3N2O/c1-5(9(11,12)13)16-8-6(3-14)2-7(10)4-15-8/h2,4-5H,3,14H2,1H3.
What are the key properties of [5-bromo-2-(1,1,1-trifluoropropan-2-yloxy)-3-pyridinyl]methanamine?
[5-bromo-2-(1,1,1-trifluoropropan-2-yloxy)-3-pyridinyl]methanamine has a molecular weight of 299.09 g/mol, XLogP of 2.63, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-bromo-2-(1,1,1-trifluoropropan-2-yloxy)-3-pyridinyl]methanamine is sourced from PubChem (CID 66274656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).