5-bromo-N-[(4-methyl-3-pyridinyl)methyl]-3-(trifluoromethyl)pyridin-2-amine

C13H11BrF3N3 — CID 106796427

IUPAC5-bromo-N-[(4-methyl-3-pyridinyl)methyl]-3-(trifluoromethyl)pyridin-2-amine
SMILESCc1ccncc1CNc1ncc(Br)cc1C(F)(F)F
InChIInChI=1S/C13H11BrF3N3/c1-8-2-3-18-5-9(8)6-19-12-11(13(15,16)17)4-10(14)7-20-12/h2-5,7H,6H2,1H3,(H,19,20)
InChIKeyCBYHZKWJNHMETM-UHFFFAOYSA-N
MW346.15 g/mol
LogP4.18
Rot. Bonds3

About 5-bromo-N-[(4-methyl-3-pyridinyl)methyl]-3-(trifluoromethyl)pyridin-2-amine

5-bromo-N-[(4-methyl-3-pyridinyl)methyl]-3-(trifluoromethyl)pyridin-2-amine (PubChem CID 106796427) has the molecular formula C13H11BrF3N3 and a molecular weight of 346.15 g/mol. Its IUPAC name is 5-bromo-N-[(4-methyl-3-pyridinyl)methyl]-3-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound Name5-bromo-N-[(4-methyl-3-pyridinyl)methyl]-3-(trifluoromethyl)pyridin-2-amine
PubChem CID106796427
Molecular FormulaC13H11BrF3N3
Molecular Weight346.15 g/mol
Exact Mass345.01
IUPAC Name5-bromo-N-[(4-methyl-3-pyridinyl)methyl]-3-(trifluoromethyl)pyridin-2-amine
SMILESCc1ccncc1CNc1ncc(Br)cc1C(F)(F)F
InChIInChI=1S/C13H11BrF3N3/c1-8-2-3-18-5-9(8)6-19-12-11(13(15,16)17)4-10(14)7-20-12/h2-5,7H,6H2,1H3,(H,19,20)
InChIKeyCBYHZKWJNHMETM-UHFFFAOYSA-N
XLogP4.18
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.15
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-N-[(2-bromophenyl)methyl]-3-(trifluoromethyl)pyridin-2-amine
CID 106796056
5-bromo-N-[(2,4-difluorophenyl)methyl]-3-(trifluoromethyl)pyridin-2-amine
CID 106796139
5-bromo-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-(trifluoromethyl)pyridin-2-amine
CID 106796050
5-bromo-N-[2-(3-methylphenyl)ethyl]-3-(trifluoromethyl)pyridin-2-amine
CID 106796142
5-bromo-N-[2-(2-fluorophenyl)ethyl]-3-(trifluoromethyl)pyridin-2-amine
CID 106795925
5-bromo-N-octyl-3-(trifluoromethyl)pyridin-2-amine
CID 106796309
5-bromo-N-(2-phenoxyethyl)-3-(trifluoromethyl)pyridin-2-amine
CID 106796104
1-[[5-bromo-3-(trifluoromethyl)-2-pyridinyl]amino]-4-methylpentan-2-ol
CID 107153440
1-N-[5-bromo-3-(trifluoromethyl)-2-pyridinyl]pentane-1,2-diamine
CID 106797276
1-N-[5-bromo-3-(trifluoromethyl)-2-pyridinyl]butane-1,3-diamine
CID 106796532
5-bromo-N-(2-thiophen-2-ylethyl)-3-(trifluoromethyl)pyridin-2-amine
CID 106795936
N-[(4-methyl-3-pyridinyl)methyl]pyridin-4-amine
CID 114956500

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[(4-methyl-3-pyridinyl)methyl]-3-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of 5-bromo-N-[(4-methyl-3-pyridinyl)methyl]-3-(trifluoromethyl)pyridin-2-amine (CID 106796427) is 5-bromo-N-[(4-methyl-3-pyridinyl)methyl]-3-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for 5-bromo-N-[(4-methyl-3-pyridinyl)methyl]-3-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for 5-bromo-N-[(4-methyl-3-pyridinyl)methyl]-3-(trifluoromethyl)pyridin-2-amine is Cc1ccncc1CNc1ncc(Br)cc1C(F)(F)F.
What is the InChIKey of 5-bromo-N-[(4-methyl-3-pyridinyl)methyl]-3-(trifluoromethyl)pyridin-2-amine?
The InChIKey is CBYHZKWJNHMETM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrF3N3/c1-8-2-3-18-5-9(8)6-19-12-11(13(15,16)17)4-10(14)7-20-12/h2-5,7H,6H2,1H3,(H,19,20).
What are the key properties of 5-bromo-N-[(4-methyl-3-pyridinyl)methyl]-3-(trifluoromethyl)pyridin-2-amine?
5-bromo-N-[(4-methyl-3-pyridinyl)methyl]-3-(trifluoromethyl)pyridin-2-amine has a molecular weight of 346.15 g/mol, XLogP of 4.18, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[(4-methyl-3-pyridinyl)methyl]-3-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 106796427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).