5-bromo-N-[2-chloro-4-(trifluoromethyl)phenyl]pyridin-2-amine

C12H7BrClF3N2 — CID 55233325

IUPAC5-bromo-N-[2-chloro-4-(trifluoromethyl)phenyl]pyridin-2-amine
SMILESFC(F)(F)c1ccc(Nc2ccc(Br)cn2)c(Cl)c1
InChIInChI=1S/C12H7BrClF3N2/c13-8-2-4-11(18-6-8)19-10-3-1-7(5-9(10)14)12(15,16)17/h1-6H,(H,18,19)
InChIKeyJANSRUZFBRJFTB-UHFFFAOYSA-N
MW351.55 g/mol
LogP5.26
Rot. Bonds2

About 5-bromo-N-[2-chloro-4-(trifluoromethyl)phenyl]pyridin-2-amine

5-bromo-N-[2-chloro-4-(trifluoromethyl)phenyl]pyridin-2-amine (PubChem CID 55233325) has the molecular formula C12H7BrClF3N2 and a molecular weight of 351.55 g/mol. Its IUPAC name is 5-bromo-N-[2-chloro-4-(trifluoromethyl)phenyl]pyridin-2-amine.

Molecular Properties

Compound Name5-bromo-N-[2-chloro-4-(trifluoromethyl)phenyl]pyridin-2-amine
PubChem CID55233325
Molecular FormulaC12H7BrClF3N2
Molecular Weight351.55 g/mol
Exact Mass349.94
IUPAC Name5-bromo-N-[2-chloro-4-(trifluoromethyl)phenyl]pyridin-2-amine
SMILESFC(F)(F)c1ccc(Nc2ccc(Br)cn2)c(Cl)c1
InChIInChI=1S/C12H7BrClF3N2/c13-8-2-4-11(18-6-8)19-10-3-1-7(5-9(10)14)12(15,16)17/h1-6H,(H,18,19)
InChIKeyJANSRUZFBRJFTB-UHFFFAOYSA-N
XLogP5.26
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.55
LogP ≤ 55.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-bromo-N-[2-fluoro-5-(trifluoromethyl)phenyl]pyridin-2-amine
CID 63464156
6-[2-chloro-4-(trifluoromethyl)anilino]pyridine-3-carbonitrile
CID 63668990
6-bromo-N-[2-chloro-4-(trifluoromethyl)phenyl]pyridin-2-amine
CID 63962611
2-N-[2-chloro-4-(trifluoromethyl)phenyl]-6-N-methylpyrazine-2,6-diamine
CID 80833737
6-(4-bromo-2-chloroanilino)pyridine-3-carboxylic acid
CID 43347442
5-bromo-N-[4-bromo-2-(trifluoromethoxy)phenyl]pyridin-2-amine
CID 103193595
2,5-dichloro-N-[2-chloro-4-(trifluoromethyl)phenyl]pyrimidin-4-amine
CID 79632211
5-chloro-N-[2-chloro-4-(trifluoromethyl)phenyl]-3-fluoropyridin-2-amine
CID 79727796
N-[2-[(5-bromo-2-pyridinyl)carbamoylamino]-4-(trifluoromethyl)phenyl]acetamide
CID 67329878
N-(4-bromo-2-fluorophenyl)-5-chloropyridin-2-amine
CID 66218088
4-N-[2-chloro-4-(trifluoromethyl)phenyl]-6-methylpyrimidine-2,4-diamine
CID 80834320
4-N-[2-chloro-4-(trifluoromethyl)phenyl]-6-N-methylpyrimidine-2,4,6-triamine
CID 80817280

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[2-chloro-4-(trifluoromethyl)phenyl]pyridin-2-amine?
The IUPAC name of 5-bromo-N-[2-chloro-4-(trifluoromethyl)phenyl]pyridin-2-amine (CID 55233325) is 5-bromo-N-[2-chloro-4-(trifluoromethyl)phenyl]pyridin-2-amine.
What is the SMILES notation for 5-bromo-N-[2-chloro-4-(trifluoromethyl)phenyl]pyridin-2-amine?
The canonical SMILES for 5-bromo-N-[2-chloro-4-(trifluoromethyl)phenyl]pyridin-2-amine is FC(F)(F)c1ccc(Nc2ccc(Br)cn2)c(Cl)c1.
What is the InChIKey of 5-bromo-N-[2-chloro-4-(trifluoromethyl)phenyl]pyridin-2-amine?
The InChIKey is JANSRUZFBRJFTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7BrClF3N2/c13-8-2-4-11(18-6-8)19-10-3-1-7(5-9(10)14)12(15,16)17/h1-6H,(H,18,19).
What are the key properties of 5-bromo-N-[2-chloro-4-(trifluoromethyl)phenyl]pyridin-2-amine?
5-bromo-N-[2-chloro-4-(trifluoromethyl)phenyl]pyridin-2-amine has a molecular weight of 351.55 g/mol, XLogP of 5.26, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[2-chloro-4-(trifluoromethyl)phenyl]pyridin-2-amine is sourced from PubChem (CID 55233325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).