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

C13H8BrF5N2 — CID 106796139

IUPAC5-bromo-N-[(2,4-difluorophenyl)methyl]-3-(trifluoromethyl)pyridin-2-amine
SMILESFc1ccc(CNc2ncc(Br)cc2C(F)(F)F)c(F)c1
InChIInChI=1S/C13H8BrF5N2/c14-8-3-10(13(17,18)19)12(21-6-8)20-5-7-1-2-9(15)4-11(7)16/h1-4,6H,5H2,(H,20,21)
InChIKeyJAZYPSUYQAHLAZ-UHFFFAOYSA-N
MW367.12 g/mol
LogP4.75
Rot. Bonds3

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

5-bromo-N-[(2,4-difluorophenyl)methyl]-3-(trifluoromethyl)pyridin-2-amine (PubChem CID 106796139) has the molecular formula C13H8BrF5N2 and a molecular weight of 367.12 g/mol. Its IUPAC name is 5-bromo-N-[(2,4-difluorophenyl)methyl]-3-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound Name5-bromo-N-[(2,4-difluorophenyl)methyl]-3-(trifluoromethyl)pyridin-2-amine
PubChem CID106796139
Molecular FormulaC13H8BrF5N2
Molecular Weight367.12 g/mol
Exact Mass365.98
IUPAC Name5-bromo-N-[(2,4-difluorophenyl)methyl]-3-(trifluoromethyl)pyridin-2-amine
SMILESFc1ccc(CNc2ncc(Br)cc2C(F)(F)F)c(F)c1
InChIInChI=1S/C13H8BrF5N2/c14-8-3-10(13(17,18)19)12(21-6-8)20-5-7-1-2-9(15)4-11(7)16/h1-4,6H,5H2,(H,20,21)
InChIKeyJAZYPSUYQAHLAZ-UHFFFAOYSA-N
XLogP4.75
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.12
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-bromo-N-[(2-bromophenyl)methyl]-3-(trifluoromethyl)pyridin-2-amine
CID 106796056
5-bromo-N-[(4-methyl-3-pyridinyl)methyl]-3-(trifluoromethyl)pyridin-2-amine
CID 106796427
3-bromo-5-chloro-N-[(2,4-difluorophenyl)methyl]pyridin-2-amine
CID 114835853
5-bromo-N-[2-(2-fluorophenyl)ethyl]-3-(trifluoromethyl)pyridin-2-amine
CID 106795925
N-[(4-bromo-2-fluorophenyl)methyl]-6-(trifluoromethyl)pyridin-3-amine
CID 82812048
5-bromo-N-(2-chloroprop-2-enyl)-3-(trifluoromethyl)pyridin-2-amine
CID 106796361
5-bromo-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-(trifluoromethyl)pyridin-2-amine
CID 106796050
2,4,6-tribromo-N-[(2,4-difluorophenyl)methyl]aniline
CID 28991921
N-[(2,4-difluorophenyl)methyl]-6-fluoropyridin-3-amine
CID 103825883
2-bromo-N-[(2,4-difluorophenyl)methyl]-4-(trifluoromethyl)aniline
CID 115511648
5-bromo-N-octyl-3-(trifluoromethyl)pyridin-2-amine
CID 106796309
4-[[[5-bromo-3-(trifluoromethyl)-2-pyridinyl]amino]methyl]-3H-1,3-thiazol-2-one
CID 106382038

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[(2,4-difluorophenyl)methyl]-3-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of 5-bromo-N-[(2,4-difluorophenyl)methyl]-3-(trifluoromethyl)pyridin-2-amine (CID 106796139) is 5-bromo-N-[(2,4-difluorophenyl)methyl]-3-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for 5-bromo-N-[(2,4-difluorophenyl)methyl]-3-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for 5-bromo-N-[(2,4-difluorophenyl)methyl]-3-(trifluoromethyl)pyridin-2-amine is Fc1ccc(CNc2ncc(Br)cc2C(F)(F)F)c(F)c1.
What is the InChIKey of 5-bromo-N-[(2,4-difluorophenyl)methyl]-3-(trifluoromethyl)pyridin-2-amine?
The InChIKey is JAZYPSUYQAHLAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8BrF5N2/c14-8-3-10(13(17,18)19)12(21-6-8)20-5-7-1-2-9(15)4-11(7)16/h1-4,6H,5H2,(H,20,21).
What are the key properties of 5-bromo-N-[(2,4-difluorophenyl)methyl]-3-(trifluoromethyl)pyridin-2-amine?
5-bromo-N-[(2,4-difluorophenyl)methyl]-3-(trifluoromethyl)pyridin-2-amine has a molecular weight of 367.12 g/mol, XLogP of 4.75, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[(2,4-difluorophenyl)methyl]-3-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 106796139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).