3-bromo-N-[3-(trifluoromethoxy)phenyl]pyridin-2-amine

C12H8BrF3N2O — CID 63462667

IUPAC3-bromo-N-[3-(trifluoromethoxy)phenyl]pyridin-2-amine
SMILESFC(F)(F)Oc1cccc(Nc2ncccc2Br)c1
InChIInChI=1S/C12H8BrF3N2O/c13-10-5-2-6-17-11(10)18-8-3-1-4-9(7-8)19-12(14,15)16/h1-7H,(H,17,18)
InChIKeyYNOJFUXCTVDUQO-UHFFFAOYSA-N
MW333.11 g/mol
LogP4.49
Rot. Bonds3

About 3-bromo-N-[3-(trifluoromethoxy)phenyl]pyridin-2-amine

3-bromo-N-[3-(trifluoromethoxy)phenyl]pyridin-2-amine (PubChem CID 63462667) has the molecular formula C12H8BrF3N2O and a molecular weight of 333.11 g/mol. Its IUPAC name is 3-bromo-N-[3-(trifluoromethoxy)phenyl]pyridin-2-amine.

Molecular Properties

Compound Name3-bromo-N-[3-(trifluoromethoxy)phenyl]pyridin-2-amine
PubChem CID63462667
Molecular FormulaC12H8BrF3N2O
Molecular Weight333.11 g/mol
Exact Mass331.98
IUPAC Name3-bromo-N-[3-(trifluoromethoxy)phenyl]pyridin-2-amine
SMILESFC(F)(F)Oc1cccc(Nc2ncccc2Br)c1
InChIInChI=1S/C12H8BrF3N2O/c13-10-5-2-6-17-11(10)18-8-3-1-4-9(7-8)19-12(14,15)16/h1-7H,(H,17,18)
InChIKeyYNOJFUXCTVDUQO-UHFFFAOYSA-N
XLogP4.49
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.11
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-N-[3-(trifluoromethoxy)phenyl]pyridine-2,3-diamine
CID 29067513
3-bromo-5-methyl-N-[3-(trifluoromethoxy)phenyl]pyridin-2-amine
CID 105367581
5-bromo-2-N-methyl-4-N-[3-(trifluoromethoxy)phenyl]pyrimidine-2,4-diamine
CID 80728679
2-bromo-6-[3-(trifluoromethoxy)anilino]benzonitrile
CID 114880532
3-bromo-N-(3-ethylphenyl)pyridin-2-amine
CID 63463490
3-bromo-N-(4-bromo-3-fluorophenyl)pyridin-2-amine
CID 65437020
3-bromo-N-[4-bromo-2-(trifluoromethoxy)phenyl]pyridin-2-amine
CID 103193591
4-N-[3-(trifluoromethoxy)phenyl]pyrimidine-4,5-diamine
CID 79915945
1-N,2-N-bis[3-(trifluoromethoxy)phenyl]benzene-1,2-diamine
CID 19351987
2-N,5-dimethyl-4-N-[3-(trifluoromethoxy)phenyl]pyrimidine-2,4-diamine
CID 80728582
3-bromo-N-(3-ethynylphenyl)pyridin-2-amine
CID 61374877
6-chloro-5-methyl-N-[3-(trifluoromethoxy)phenyl]pyrimidin-4-amine
CID 63736450

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[3-(trifluoromethoxy)phenyl]pyridin-2-amine?
The IUPAC name of 3-bromo-N-[3-(trifluoromethoxy)phenyl]pyridin-2-amine (CID 63462667) is 3-bromo-N-[3-(trifluoromethoxy)phenyl]pyridin-2-amine.
What is the SMILES notation for 3-bromo-N-[3-(trifluoromethoxy)phenyl]pyridin-2-amine?
The canonical SMILES for 3-bromo-N-[3-(trifluoromethoxy)phenyl]pyridin-2-amine is FC(F)(F)Oc1cccc(Nc2ncccc2Br)c1.
What is the InChIKey of 3-bromo-N-[3-(trifluoromethoxy)phenyl]pyridin-2-amine?
The InChIKey is YNOJFUXCTVDUQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8BrF3N2O/c13-10-5-2-6-17-11(10)18-8-3-1-4-9(7-8)19-12(14,15)16/h1-7H,(H,17,18).
What are the key properties of 3-bromo-N-[3-(trifluoromethoxy)phenyl]pyridin-2-amine?
3-bromo-N-[3-(trifluoromethoxy)phenyl]pyridin-2-amine has a molecular weight of 333.11 g/mol, XLogP of 4.49, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[3-(trifluoromethoxy)phenyl]pyridin-2-amine is sourced from PubChem (CID 63462667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).