5-bromo-4-N-[4-chloro-2-(trifluoromethyl)phenyl]pyridine-3,4-diamine

C12H8BrClF3N3 — CID 103517614

IUPAC5-bromo-4-N-[4-chloro-2-(trifluoromethyl)phenyl]pyridine-3,4-diamine
SMILESNc1cncc(Br)c1Nc1ccc(Cl)cc1C(F)(F)F
InChIInChI=1S/C12H8BrClF3N3/c13-8-4-19-5-9(18)11(8)20-10-2-1-6(14)3-7(10)12(15,16)17/h1-5H,18H2,(H,19,20)
InChIKeyWKSWBTRXPSNRRF-UHFFFAOYSA-N
MW366.57 g/mol
LogP4.84
Rot. Bonds2

About 5-bromo-4-N-[4-chloro-2-(trifluoromethyl)phenyl]pyridine-3,4-diamine

5-bromo-4-N-[4-chloro-2-(trifluoromethyl)phenyl]pyridine-3,4-diamine (PubChem CID 103517614) has the molecular formula C12H8BrClF3N3 and a molecular weight of 366.57 g/mol. Its IUPAC name is 5-bromo-4-N-[4-chloro-2-(trifluoromethyl)phenyl]pyridine-3,4-diamine.

Molecular Properties

Compound Name5-bromo-4-N-[4-chloro-2-(trifluoromethyl)phenyl]pyridine-3,4-diamine
PubChem CID103517614
Molecular FormulaC12H8BrClF3N3
Molecular Weight366.57 g/mol
Exact Mass364.95
IUPAC Name5-bromo-4-N-[4-chloro-2-(trifluoromethyl)phenyl]pyridine-3,4-diamine
SMILESNc1cncc(Br)c1Nc1ccc(Cl)cc1C(F)(F)F
InChIInChI=1S/C12H8BrClF3N3/c13-8-4-19-5-9(18)11(8)20-10-2-1-6(14)3-7(10)12(15,16)17/h1-5H,18H2,(H,19,20)
InChIKeyWKSWBTRXPSNRRF-UHFFFAOYSA-N
XLogP4.84
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.57
LogP ≤ 54.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-N-[4-chloro-2-(trifluoromethyl)phenyl]-2,6-difluorobenzene-1,4-diamine
CID 63402036
4-N-[4-chloro-2-(trifluoromethyl)phenyl]pyrimidine-4,5-diamine
CID 79916848
5-N-[4-chloro-2-(trifluoromethyl)phenyl]pyridine-3,5-diamine
CID 104532239
5-bromo-4-N-[2-methyl-5-(trifluoromethyl)phenyl]pyridine-3,4-diamine
CID 103518284
5-bromo-2-chloro-N-[4-chloro-2-(trifluoromethyl)phenyl]pyrimidin-4-amine
CID 79076572
4-[(3-amino-5-bromo-4-pyridinyl)amino]-3-chlorobenzonitrile
CID 114003347
4-chloro-N-[4-chloro-2-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine
CID 83153285
N-[(5-bromo-3-pyridinyl)methyl]-4-chloro-2-(trifluoromethyl)aniline
CID 104796648
2-chloro-4-N-[4-chloro-2-(trifluoromethyl)phenyl]-5-methylbenzene-1,4-diamine
CID 115554494
4-N-[4-chloro-2-(trifluoromethyl)phenyl]-6-hydrazinylpyrimidine-2,4-diamine
CID 80911630
5-bromo-4-N-(5-bromo-2-iodophenyl)pyridine-3,4-diamine
CID 114258679
3-N-[4-chloro-2-(trifluoromethyl)phenyl]-4-methylbenzene-1,3-diamine
CID 63401990

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-N-[4-chloro-2-(trifluoromethyl)phenyl]pyridine-3,4-diamine?
The IUPAC name of 5-bromo-4-N-[4-chloro-2-(trifluoromethyl)phenyl]pyridine-3,4-diamine (CID 103517614) is 5-bromo-4-N-[4-chloro-2-(trifluoromethyl)phenyl]pyridine-3,4-diamine.
What is the SMILES notation for 5-bromo-4-N-[4-chloro-2-(trifluoromethyl)phenyl]pyridine-3,4-diamine?
The canonical SMILES for 5-bromo-4-N-[4-chloro-2-(trifluoromethyl)phenyl]pyridine-3,4-diamine is Nc1cncc(Br)c1Nc1ccc(Cl)cc1C(F)(F)F.
What is the InChIKey of 5-bromo-4-N-[4-chloro-2-(trifluoromethyl)phenyl]pyridine-3,4-diamine?
The InChIKey is WKSWBTRXPSNRRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8BrClF3N3/c13-8-4-19-5-9(18)11(8)20-10-2-1-6(14)3-7(10)12(15,16)17/h1-5H,18H2,(H,19,20).
What are the key properties of 5-bromo-4-N-[4-chloro-2-(trifluoromethyl)phenyl]pyridine-3,4-diamine?
5-bromo-4-N-[4-chloro-2-(trifluoromethyl)phenyl]pyridine-3,4-diamine has a molecular weight of 366.57 g/mol, XLogP of 4.84, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-N-[4-chloro-2-(trifluoromethyl)phenyl]pyridine-3,4-diamine is sourced from PubChem (CID 103517614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).