5-bromo-3-chloro-N-[2-(3,5-difluorophenyl)ethyl]pyridin-2-amine

C13H10BrClF2N2 — CID 103582503

IUPAC5-bromo-3-chloro-N-[2-(3,5-difluorophenyl)ethyl]pyridin-2-amine
SMILESFc1cc(F)cc(CCNc2ncc(Br)cc2Cl)c1
InChIInChI=1S/C13H10BrClF2N2/c14-9-5-12(15)13(19-7-9)18-2-1-8-3-10(16)6-11(17)4-8/h3-7H,1-2H2,(H,18,19)
InChIKeyVKMODDUXARAVLK-UHFFFAOYSA-N
MW347.59 g/mol
LogP4.43
Rot. Bonds4

About 5-bromo-3-chloro-N-[2-(3,5-difluorophenyl)ethyl]pyridin-2-amine

5-bromo-3-chloro-N-[2-(3,5-difluorophenyl)ethyl]pyridin-2-amine (PubChem CID 103582503) has the molecular formula C13H10BrClF2N2 and a molecular weight of 347.59 g/mol. Its IUPAC name is 5-bromo-3-chloro-N-[2-(3,5-difluorophenyl)ethyl]pyridin-2-amine.

Molecular Properties

Compound Name5-bromo-3-chloro-N-[2-(3,5-difluorophenyl)ethyl]pyridin-2-amine
PubChem CID103582503
Molecular FormulaC13H10BrClF2N2
Molecular Weight347.59 g/mol
Exact Mass345.97
IUPAC Name5-bromo-3-chloro-N-[2-(3,5-difluorophenyl)ethyl]pyridin-2-amine
SMILESFc1cc(F)cc(CCNc2ncc(Br)cc2Cl)c1
InChIInChI=1S/C13H10BrClF2N2/c14-9-5-12(15)13(19-7-9)18-2-1-8-3-10(16)6-11(17)4-8/h3-7H,1-2H2,(H,18,19)
InChIKeyVKMODDUXARAVLK-UHFFFAOYSA-N
XLogP4.43
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.59
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-bromo-3-chloro-N-[2-(3-fluorophenyl)ethyl]pyridin-2-amine
CID 103582390
3,5-dibromo-N-[2-(3,5-difluorophenyl)ethyl]pyridin-2-amine
CID 113413696
5-bromo-N-[2-(3,5-difluorophenyl)ethyl]-3-methylpyridin-2-amine
CID 79719091
5-bromo-2-chloro-N-[2-(3,5-difluorophenyl)ethyl]pyrimidin-4-amine
CID 79073377
5-bromo-3-chloro-N-propylpyridin-2-amine
CID 82480708
N'-(5-bromo-3-chloro-2-pyridinyl)ethane-1,2-diamine
CID 103582280
3-chloro-N-[2-(3,5-difluorophenyl)ethyl]pyrazin-2-amine
CID 62615088
N-[2-(azepan-1-yl)ethyl]-5-bromo-3-chloropyridin-2-amine
CID 103582430
5-bromo-N-[2-(4-fluorophenyl)ethyl]-3-methylpyridin-2-amine
CID 79718767
5-bromo-N-[2-(3,5-difluorophenyl)ethyl]-2-hydrazinylpyrimidin-4-amine
CID 80918985
5-bromo-3-chloro-N-(3-pyrrolidin-1-ylpropyl)pyridin-2-amine
CID 103582512
5-bromo-3-chloro-N-(2-piperazin-1-ylethyl)pyridin-2-amine
CID 103582727

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-chloro-N-[2-(3,5-difluorophenyl)ethyl]pyridin-2-amine?
The IUPAC name of 5-bromo-3-chloro-N-[2-(3,5-difluorophenyl)ethyl]pyridin-2-amine (CID 103582503) is 5-bromo-3-chloro-N-[2-(3,5-difluorophenyl)ethyl]pyridin-2-amine.
What is the SMILES notation for 5-bromo-3-chloro-N-[2-(3,5-difluorophenyl)ethyl]pyridin-2-amine?
The canonical SMILES for 5-bromo-3-chloro-N-[2-(3,5-difluorophenyl)ethyl]pyridin-2-amine is Fc1cc(F)cc(CCNc2ncc(Br)cc2Cl)c1.
What is the InChIKey of 5-bromo-3-chloro-N-[2-(3,5-difluorophenyl)ethyl]pyridin-2-amine?
The InChIKey is VKMODDUXARAVLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrClF2N2/c14-9-5-12(15)13(19-7-9)18-2-1-8-3-10(16)6-11(17)4-8/h3-7H,1-2H2,(H,18,19).
What are the key properties of 5-bromo-3-chloro-N-[2-(3,5-difluorophenyl)ethyl]pyridin-2-amine?
5-bromo-3-chloro-N-[2-(3,5-difluorophenyl)ethyl]pyridin-2-amine has a molecular weight of 347.59 g/mol, XLogP of 4.43, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-chloro-N-[2-(3,5-difluorophenyl)ethyl]pyridin-2-amine is sourced from PubChem (CID 103582503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).