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

C12H7BrF4N2 — CID 114043480

IUPACN-[2-bromo-5-(trifluoromethyl)phenyl]-2-fluoropyridin-4-amine
SMILESFc1cc(Nc2cc(C(F)(F)F)ccc2Br)ccn1
InChIInChI=1S/C12H7BrF4N2/c13-9-2-1-7(12(15,16)17)5-10(9)19-8-3-4-18-11(14)6-8/h1-6H,(H,18,19)
InChIKeyOUOISMPONLVNEW-UHFFFAOYSA-N
MW335.10 g/mol
LogP4.75
Rot. Bonds2

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

N-[2-bromo-5-(trifluoromethyl)phenyl]-2-fluoropyridin-4-amine (PubChem CID 114043480) has the molecular formula C12H7BrF4N2 and a molecular weight of 335.10 g/mol. Its IUPAC name is N-[2-bromo-5-(trifluoromethyl)phenyl]-2-fluoropyridin-4-amine.

Molecular Properties

Compound NameN-[2-bromo-5-(trifluoromethyl)phenyl]-2-fluoropyridin-4-amine
PubChem CID114043480
Molecular FormulaC12H7BrF4N2
Molecular Weight335.10 g/mol
Exact Mass333.97
IUPAC NameN-[2-bromo-5-(trifluoromethyl)phenyl]-2-fluoropyridin-4-amine
SMILESFc1cc(Nc2cc(C(F)(F)F)ccc2Br)ccn1
InChIInChI=1S/C12H7BrF4N2/c13-9-2-1-7(12(15,16)17)5-10(9)19-8-3-4-18-11(14)6-8/h1-6H,(H,18,19)
InChIKeyOUOISMPONLVNEW-UHFFFAOYSA-N
XLogP4.75
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.10
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-fluoro-N-[2-methyl-5-(trifluoromethyl)phenyl]pyridin-4-amine
CID 113367381
1-N-(4-bromo-3-fluorophenyl)-4-(trifluoromethyl)benzene-1,2-diamine
CID 65435093
2-N,4-N-bis[3-(trifluoromethyl)phenyl]pyridine-2,4-diamine
CID 11696916
3-bromo-N-[2-fluoro-5-(trifluoromethyl)phenyl]pyridin-2-amine
CID 63464155
2-(4-bromo-3-fluoroanilino)-5-(trifluoromethyl)benzonitrile
CID 65436552
5-bromo-N-[2-fluoro-5-(trifluoromethyl)phenyl]pyridin-3-amine
CID 113423559
N-[2-bromo-5-(trifluoromethyl)phenyl]pyridine-4-carboxamide
CID 23149635
1-N-(4-bromo-3-chlorophenyl)-4-(trifluoromethyl)benzene-1,2-diamine
CID 107618576
4-[2-chloro-4-(trifluoromethyl)anilino]pyridine-2-carbothioamide
CID 63669304
5-bromo-N-[2-fluoro-5-(trifluoromethyl)phenyl]pyridin-2-amine
CID 63464156
N-(3-fluorophenyl)-2,5-bis(trifluoromethyl)aniline
CID 155290773
3-bromo-N-[2-chloro-5-(trifluoromethyl)phenyl]-4-methylpyridin-2-amine
CID 106876475

Frequently Asked Questions

What is the IUPAC name of N-[2-bromo-5-(trifluoromethyl)phenyl]-2-fluoropyridin-4-amine?
The IUPAC name of N-[2-bromo-5-(trifluoromethyl)phenyl]-2-fluoropyridin-4-amine (CID 114043480) is N-[2-bromo-5-(trifluoromethyl)phenyl]-2-fluoropyridin-4-amine.
What is the SMILES notation for N-[2-bromo-5-(trifluoromethyl)phenyl]-2-fluoropyridin-4-amine?
The canonical SMILES for N-[2-bromo-5-(trifluoromethyl)phenyl]-2-fluoropyridin-4-amine is Fc1cc(Nc2cc(C(F)(F)F)ccc2Br)ccn1.
What is the InChIKey of N-[2-bromo-5-(trifluoromethyl)phenyl]-2-fluoropyridin-4-amine?
The InChIKey is OUOISMPONLVNEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7BrF4N2/c13-9-2-1-7(12(15,16)17)5-10(9)19-8-3-4-18-11(14)6-8/h1-6H,(H,18,19).
What are the key properties of N-[2-bromo-5-(trifluoromethyl)phenyl]-2-fluoropyridin-4-amine?
N-[2-bromo-5-(trifluoromethyl)phenyl]-2-fluoropyridin-4-amine has a molecular weight of 335.10 g/mol, XLogP of 4.75, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-bromo-5-(trifluoromethyl)phenyl]-2-fluoropyridin-4-amine is sourced from PubChem (CID 114043480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).