5-bromo-N-(4-chloro-2-fluorophenyl)-4-fluoropyridin-3-amine

C11H6BrClF2N2 — CID 174161535

IUPAC5-bromo-N-(4-chloro-2-fluorophenyl)-4-fluoropyridin-3-amine
SMILESFc1cc(Cl)ccc1Nc1cncc(Br)c1F
InChIInChI=1S/C11H6BrClF2N2/c12-7-4-16-5-10(11(7)15)17-9-2-1-6(13)3-8(9)14/h1-5,17H
InChIKeyRLRMMXKPZNDWHO-UHFFFAOYSA-N
MW319.54 g/mol
LogP4.52
Rot. Bonds2

About 5-bromo-N-(4-chloro-2-fluorophenyl)-4-fluoropyridin-3-amine

5-bromo-N-(4-chloro-2-fluorophenyl)-4-fluoropyridin-3-amine (PubChem CID 174161535) has the molecular formula C11H6BrClF2N2 and a molecular weight of 319.54 g/mol. Its IUPAC name is 5-bromo-N-(4-chloro-2-fluorophenyl)-4-fluoropyridin-3-amine.

Molecular Properties

Compound Name5-bromo-N-(4-chloro-2-fluorophenyl)-4-fluoropyridin-3-amine
PubChem CID174161535
Molecular FormulaC11H6BrClF2N2
Molecular Weight319.54 g/mol
Exact Mass317.94
IUPAC Name5-bromo-N-(4-chloro-2-fluorophenyl)-4-fluoropyridin-3-amine
SMILESFc1cc(Cl)ccc1Nc1cncc(Br)c1F
InChIInChI=1S/C11H6BrClF2N2/c12-7-4-16-5-10(11(7)15)17-9-2-1-6(13)3-8(9)14/h1-5,17H
InChIKeyRLRMMXKPZNDWHO-UHFFFAOYSA-N
XLogP4.52
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.54
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(4-chloro-2-fluorophenyl)-4-fluoropyridin-3-amine?
The IUPAC name of 5-bromo-N-(4-chloro-2-fluorophenyl)-4-fluoropyridin-3-amine (CID 174161535) is 5-bromo-N-(4-chloro-2-fluorophenyl)-4-fluoropyridin-3-amine.
What is the SMILES notation for 5-bromo-N-(4-chloro-2-fluorophenyl)-4-fluoropyridin-3-amine?
The canonical SMILES for 5-bromo-N-(4-chloro-2-fluorophenyl)-4-fluoropyridin-3-amine is Fc1cc(Cl)ccc1Nc1cncc(Br)c1F.
What is the InChIKey of 5-bromo-N-(4-chloro-2-fluorophenyl)-4-fluoropyridin-3-amine?
The InChIKey is RLRMMXKPZNDWHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6BrClF2N2/c12-7-4-16-5-10(11(7)15)17-9-2-1-6(13)3-8(9)14/h1-5,17H.
What are the key properties of 5-bromo-N-(4-chloro-2-fluorophenyl)-4-fluoropyridin-3-amine?
5-bromo-N-(4-chloro-2-fluorophenyl)-4-fluoropyridin-3-amine has a molecular weight of 319.54 g/mol, XLogP of 4.52, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(4-chloro-2-fluorophenyl)-4-fluoropyridin-3-amine is sourced from PubChem (CID 174161535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).