3-bromo-5-chloro-N-[2-(4-fluorophenyl)ethyl]pyridin-2-amine

C13H11BrClFN2 — CID 114835604

IUPAC3-bromo-5-chloro-N-[2-(4-fluorophenyl)ethyl]pyridin-2-amine
SMILESFc1ccc(CCNc2ncc(Cl)cc2Br)cc1
InChIInChI=1S/C13H11BrClFN2/c14-12-7-10(15)8-18-13(12)17-6-5-9-1-3-11(16)4-2-9/h1-4,7-8H,5-6H2,(H,17,18)
InChIKeyOXQKYMDLONIZCJ-UHFFFAOYSA-N
MW329.60 g/mol
LogP4.29
Rot. Bonds4

About 3-bromo-5-chloro-N-[2-(4-fluorophenyl)ethyl]pyridin-2-amine

3-bromo-5-chloro-N-[2-(4-fluorophenyl)ethyl]pyridin-2-amine (PubChem CID 114835604) has the molecular formula C13H11BrClFN2 and a molecular weight of 329.60 g/mol. Its IUPAC name is 3-bromo-5-chloro-N-[2-(4-fluorophenyl)ethyl]pyridin-2-amine.

Molecular Properties

Compound Name3-bromo-5-chloro-N-[2-(4-fluorophenyl)ethyl]pyridin-2-amine
PubChem CID114835604
Molecular FormulaC13H11BrClFN2
Molecular Weight329.60 g/mol
Exact Mass327.98
IUPAC Name3-bromo-5-chloro-N-[2-(4-fluorophenyl)ethyl]pyridin-2-amine
SMILESFc1ccc(CCNc2ncc(Cl)cc2Br)cc1
InChIInChI=1S/C13H11BrClFN2/c14-12-7-10(15)8-18-13(12)17-6-5-9-1-3-11(16)4-2-9/h1-4,7-8H,5-6H2,(H,17,18)
InChIKeyOXQKYMDLONIZCJ-UHFFFAOYSA-N
XLogP4.29
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.60
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[2-[(3-bromo-5-chloro-2-pyridinyl)amino]ethyl]benzenesulfonamide
CID 114835817
3-bromo-5-chloro-N-(3-phenylpropyl)pyridin-2-amine
CID 114835697
5-bromo-N-[2-(4-fluorophenyl)ethyl]-3-methylpyridin-2-amine
CID 79718767
3-bromo-5-chloro-N-[2-(1-methylpyrazol-4-yl)ethyl]pyridin-2-amine
CID 114836017
3-bromo-5-chloro-N-(3-chloropropyl)pyridin-2-amine
CID 114838460
N'-(3-bromo-5-chloro-2-pyridinyl)ethane-1,2-diamine
CID 114835533
3-bromo-5-chloro-N-[(2,4-difluorophenyl)methyl]pyridin-2-amine
CID 114835853
3,5-dibromo-N-[2-(3,5-difluorophenyl)ethyl]pyridin-2-amine
CID 113413696
3-bromo-5-chloro-N-ethylpyridin-2-amine
CID 114835594
5-bromo-2-N-[2-(4-chlorophenyl)ethyl]pyridine-2,3-diamine
CID 61380799
N-[4-(2-aminoethyl)phenyl]-3-bromo-5-chloropyridin-2-amine
CID 114838670
5-bromo-3-chloro-N-[2-(3,5-difluorophenyl)ethyl]pyridin-2-amine
CID 103582503

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-chloro-N-[2-(4-fluorophenyl)ethyl]pyridin-2-amine?
The IUPAC name of 3-bromo-5-chloro-N-[2-(4-fluorophenyl)ethyl]pyridin-2-amine (CID 114835604) is 3-bromo-5-chloro-N-[2-(4-fluorophenyl)ethyl]pyridin-2-amine.
What is the SMILES notation for 3-bromo-5-chloro-N-[2-(4-fluorophenyl)ethyl]pyridin-2-amine?
The canonical SMILES for 3-bromo-5-chloro-N-[2-(4-fluorophenyl)ethyl]pyridin-2-amine is Fc1ccc(CCNc2ncc(Cl)cc2Br)cc1.
What is the InChIKey of 3-bromo-5-chloro-N-[2-(4-fluorophenyl)ethyl]pyridin-2-amine?
The InChIKey is OXQKYMDLONIZCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrClFN2/c14-12-7-10(15)8-18-13(12)17-6-5-9-1-3-11(16)4-2-9/h1-4,7-8H,5-6H2,(H,17,18).
What are the key properties of 3-bromo-5-chloro-N-[2-(4-fluorophenyl)ethyl]pyridin-2-amine?
3-bromo-5-chloro-N-[2-(4-fluorophenyl)ethyl]pyridin-2-amine has a molecular weight of 329.60 g/mol, XLogP of 4.29, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-chloro-N-[2-(4-fluorophenyl)ethyl]pyridin-2-amine is sourced from PubChem (CID 114835604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).