1-N-[5-bromo-3-(trifluoromethyl)-2-pyridinyl]pentane-1,2-diamine

C11H15BrF3N3 — CID 106797276

IUPAC1-N-[5-bromo-3-(trifluoromethyl)-2-pyridinyl]pentane-1,2-diamine
SMILESCCCC(N)CNc1ncc(Br)cc1C(F)(F)F
InChIInChI=1S/C11H15BrF3N3/c1-2-3-8(16)6-18-10-9(11(13,14)15)4-7(12)5-17-10/h4-5,8H,2-3,6,16H2,1H3,(H,17,18)
InChIKeyVFSUNKGXOTYVAK-UHFFFAOYSA-N
MW326.16 g/mol
LogP3.40
Rot. Bonds5

About 1-N-[5-bromo-3-(trifluoromethyl)-2-pyridinyl]pentane-1,2-diamine

1-N-[5-bromo-3-(trifluoromethyl)-2-pyridinyl]pentane-1,2-diamine (PubChem CID 106797276) has the molecular formula C11H15BrF3N3 and a molecular weight of 326.16 g/mol. Its IUPAC name is 1-N-[5-bromo-3-(trifluoromethyl)-2-pyridinyl]pentane-1,2-diamine.

Molecular Properties

Compound Name1-N-[5-bromo-3-(trifluoromethyl)-2-pyridinyl]pentane-1,2-diamine
PubChem CID106797276
Molecular FormulaC11H15BrF3N3
Molecular Weight326.16 g/mol
Exact Mass325.04
IUPAC Name1-N-[5-bromo-3-(trifluoromethyl)-2-pyridinyl]pentane-1,2-diamine
SMILESCCCC(N)CNc1ncc(Br)cc1C(F)(F)F
InChIInChI=1S/C11H15BrF3N3/c1-2-3-8(16)6-18-10-9(11(13,14)15)4-7(12)5-17-10/h4-5,8H,2-3,6,16H2,1H3,(H,17,18)
InChIKeyVFSUNKGXOTYVAK-UHFFFAOYSA-N
XLogP3.40
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.16
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-N-[5-bromo-3-(trifluoromethyl)-2-pyridinyl]butane-1,3-diamine
CID 106796532
1-[[5-bromo-3-(trifluoromethyl)-2-pyridinyl]amino]-4-methylpentan-2-ol
CID 107153440
5-bromo-N-octyl-3-(trifluoromethyl)pyridin-2-amine
CID 106796309
5-bromo-N-hexan-2-yl-3-(trifluoromethyl)pyridin-2-amine
CID 106796138
5-bromo-N-(2,2-dimethylheptyl)-3-(trifluoromethyl)pyridin-2-amine
CID 106796286
5-bromo-N-(2-piperidin-1-ylpropyl)-3-(trifluoromethyl)pyridin-2-amine
CID 106796017
5-bromo-N-(3-butoxypropyl)-3-(trifluoromethyl)pyridin-2-amine
CID 106796377
N-[5-bromo-3-(trifluoromethyl)-2-pyridinyl]-N',N'-diethylpropane-1,3-diamine
CID 106795932
5-bromo-N-[(4-ethylcyclohexyl)methyl]-3-(trifluoromethyl)pyridin-2-amine
CID 106796009
5-bromo-N-(2-chloroprop-2-enyl)-3-(trifluoromethyl)pyridin-2-amine
CID 106796361
5-bromo-N-[(4-methyl-3-pyridinyl)methyl]-3-(trifluoromethyl)pyridin-2-amine
CID 106796427
5-bromo-N-(4-methylsulfanylbutan-2-yl)-3-(trifluoromethyl)pyridin-2-amine
CID 106796371

Frequently Asked Questions

What is the IUPAC name of 1-N-[5-bromo-3-(trifluoromethyl)-2-pyridinyl]pentane-1,2-diamine?
The IUPAC name of 1-N-[5-bromo-3-(trifluoromethyl)-2-pyridinyl]pentane-1,2-diamine (CID 106797276) is 1-N-[5-bromo-3-(trifluoromethyl)-2-pyridinyl]pentane-1,2-diamine.
What is the SMILES notation for 1-N-[5-bromo-3-(trifluoromethyl)-2-pyridinyl]pentane-1,2-diamine?
The canonical SMILES for 1-N-[5-bromo-3-(trifluoromethyl)-2-pyridinyl]pentane-1,2-diamine is CCCC(N)CNc1ncc(Br)cc1C(F)(F)F.
What is the InChIKey of 1-N-[5-bromo-3-(trifluoromethyl)-2-pyridinyl]pentane-1,2-diamine?
The InChIKey is VFSUNKGXOTYVAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrF3N3/c1-2-3-8(16)6-18-10-9(11(13,14)15)4-7(12)5-17-10/h4-5,8H,2-3,6,16H2,1H3,(H,17,18).
What are the key properties of 1-N-[5-bromo-3-(trifluoromethyl)-2-pyridinyl]pentane-1,2-diamine?
1-N-[5-bromo-3-(trifluoromethyl)-2-pyridinyl]pentane-1,2-diamine has a molecular weight of 326.16 g/mol, XLogP of 3.40, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[5-bromo-3-(trifluoromethyl)-2-pyridinyl]pentane-1,2-diamine is sourced from PubChem (CID 106797276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).