3-bromo-N-(3-chloro-2-fluorophenyl)pyridin-4-amine

C11H7BrClFN2 — CID 104777887

IUPAC3-bromo-N-(3-chloro-2-fluorophenyl)pyridin-4-amine
SMILESFc1c(Cl)cccc1Nc1ccncc1Br
InChIInChI=1S/C11H7BrClFN2/c12-7-6-15-5-4-9(7)16-10-3-1-2-8(13)11(10)14/h1-6H,(H,15,16)
InChIKeyQJSAJGBXCSEPEY-UHFFFAOYSA-N
MW301.55 g/mol
LogP4.38
Rot. Bonds2

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

3-bromo-N-(3-chloro-2-fluorophenyl)pyridin-4-amine (PubChem CID 104777887) has the molecular formula C11H7BrClFN2 and a molecular weight of 301.55 g/mol. Its IUPAC name is 3-bromo-N-(3-chloro-2-fluorophenyl)pyridin-4-amine.

Molecular Properties

Compound Name3-bromo-N-(3-chloro-2-fluorophenyl)pyridin-4-amine
PubChem CID104777887
Molecular FormulaC11H7BrClFN2
Molecular Weight301.55 g/mol
Exact Mass299.95
IUPAC Name3-bromo-N-(3-chloro-2-fluorophenyl)pyridin-4-amine
SMILESFc1c(Cl)cccc1Nc1ccncc1Br
InChIInChI=1S/C11H7BrClFN2/c12-7-6-15-5-4-9(7)16-10-3-1-2-8(13)11(10)14/h1-6H,(H,15,16)
InChIKeyQJSAJGBXCSEPEY-UHFFFAOYSA-N
XLogP4.38
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.55
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-bromo-N-(2-methylsulfanylphenyl)pyridin-4-amine
CID 107645873
3-bromo-N-phenylpyridin-4-amine
CID 10634327
3-bromo-N-(3-chloro-4-fluorophenyl)pyridin-4-amine
CID 104776772
3-bromo-N-(5-bromo-2,4-difluorophenyl)pyridin-4-amine
CID 102854834
3-bromo-N-(3,5-dichlorophenyl)pyridin-4-amine
CID 104777922
3-bromo-N-(3,5-difluorophenyl)pyridin-4-amine
CID 104777967
5-bromo-N-(3-chloro-2-fluorophenyl)-2-hydrazinylpyrimidin-4-amine
CID 80921178
1-N-(3-bromo-4-pyridinyl)-2-N,2-N-dimethylbenzene-1,2-diamine
CID 106760668
4-N-(3-chloro-2-fluorophenyl)-1H-pyrazole-4,5-diamine
CID 82234948
N-(2-bromophenyl)-2-chloroaniline
CID 14022259
3-bromo-N-(2,5-difluoro-4-methylphenyl)pyridin-4-amine
CID 103587184
5-[(3-bromo-4-pyridinyl)amino]-2,3-dihydrophthalazine-1,4-dione
CID 104778147

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(3-chloro-2-fluorophenyl)pyridin-4-amine?
The IUPAC name of 3-bromo-N-(3-chloro-2-fluorophenyl)pyridin-4-amine (CID 104777887) is 3-bromo-N-(3-chloro-2-fluorophenyl)pyridin-4-amine.
What is the SMILES notation for 3-bromo-N-(3-chloro-2-fluorophenyl)pyridin-4-amine?
The canonical SMILES for 3-bromo-N-(3-chloro-2-fluorophenyl)pyridin-4-amine is Fc1c(Cl)cccc1Nc1ccncc1Br.
What is the InChIKey of 3-bromo-N-(3-chloro-2-fluorophenyl)pyridin-4-amine?
The InChIKey is QJSAJGBXCSEPEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7BrClFN2/c12-7-6-15-5-4-9(7)16-10-3-1-2-8(13)11(10)14/h1-6H,(H,15,16).
What are the key properties of 3-bromo-N-(3-chloro-2-fluorophenyl)pyridin-4-amine?
3-bromo-N-(3-chloro-2-fluorophenyl)pyridin-4-amine has a molecular weight of 301.55 g/mol, XLogP of 4.38, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(3-chloro-2-fluorophenyl)pyridin-4-amine is sourced from PubChem (CID 104777887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).