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

C13H11BrClFN2 — CID 103582390

IUPAC5-bromo-3-chloro-N-[2-(3-fluorophenyl)ethyl]pyridin-2-amine
SMILESFc1cccc(CCNc2ncc(Br)cc2Cl)c1
InChIInChI=1S/C13H11BrClFN2/c14-10-7-12(15)13(18-8-10)17-5-4-9-2-1-3-11(16)6-9/h1-3,6-8H,4-5H2,(H,17,18)
InChIKeyOFMAONWSKGKJPF-UHFFFAOYSA-N
MW329.60 g/mol
LogP4.29
Rot. Bonds4

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

5-bromo-3-chloro-N-[2-(3-fluorophenyl)ethyl]pyridin-2-amine (PubChem CID 103582390) has the molecular formula C13H11BrClFN2 and a molecular weight of 329.60 g/mol. Its IUPAC name is 5-bromo-3-chloro-N-[2-(3-fluorophenyl)ethyl]pyridin-2-amine.

Molecular Properties

Compound Name5-bromo-3-chloro-N-[2-(3-fluorophenyl)ethyl]pyridin-2-amine
PubChem CID103582390
Molecular FormulaC13H11BrClFN2
Molecular Weight329.60 g/mol
Exact Mass327.98
IUPAC Name5-bromo-3-chloro-N-[2-(3-fluorophenyl)ethyl]pyridin-2-amine
SMILESFc1cccc(CCNc2ncc(Br)cc2Cl)c1
InChIInChI=1S/C13H11BrClFN2/c14-10-7-12(15)13(18-8-10)17-5-4-9-2-1-3-11(16)6-9/h1-3,6-8H,4-5H2,(H,17,18)
InChIKeyOFMAONWSKGKJPF-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

5-bromo-3-chloro-N-[2-(3,5-difluorophenyl)ethyl]pyridin-2-amine
CID 103582503
3,5-dichloro-6-N-[2-(3-fluorophenyl)ethyl]pyridine-2,6-diamine
CID 102756174
3,5-dichloro-6-N-[2-(3-fluorophenyl)ethyl]-2-N-methylpyridine-2,6-diamine
CID 102756176
5-bromo-3-chloro-N-(3-fluorophenyl)pyridin-2-amine
CID 103583086
5-chloro-2-N-ethyl-4-N-[2-(3-fluorophenyl)ethyl]pyrimidine-2,4-diamine
CID 80788298
6-bromo-N-[2-(3-fluorophenyl)ethyl]quinazolin-4-amine
CID 25175672
3,5-dibromo-N-[2-(3,5-difluorophenyl)ethyl]pyridin-2-amine
CID 113413696
5-bromo-3-chloro-N-propylpyridin-2-amine
CID 82480708
N'-(5-bromo-3-chloro-2-pyridinyl)ethane-1,2-diamine
CID 103582280
N-[[6-(aminomethyl)-2-pyridinyl]methyl]-5-bromo-2-[2-(3-fluorophenyl)ethylamino]pyridine-3-carboxamide
CID 59738234
5-bromo-N-[2-(3,5-difluorophenyl)ethyl]-3-methylpyridin-2-amine
CID 79719091
5-bromo-N-[2-(3-fluorophenyl)ethyl]-1,3,4-thiadiazol-2-amine
CID 64623680

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-chloro-N-[2-(3-fluorophenyl)ethyl]pyridin-2-amine?
The IUPAC name of 5-bromo-3-chloro-N-[2-(3-fluorophenyl)ethyl]pyridin-2-amine (CID 103582390) is 5-bromo-3-chloro-N-[2-(3-fluorophenyl)ethyl]pyridin-2-amine.
What is the SMILES notation for 5-bromo-3-chloro-N-[2-(3-fluorophenyl)ethyl]pyridin-2-amine?
The canonical SMILES for 5-bromo-3-chloro-N-[2-(3-fluorophenyl)ethyl]pyridin-2-amine is Fc1cccc(CCNc2ncc(Br)cc2Cl)c1.
What is the InChIKey of 5-bromo-3-chloro-N-[2-(3-fluorophenyl)ethyl]pyridin-2-amine?
The InChIKey is OFMAONWSKGKJPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrClFN2/c14-10-7-12(15)13(18-8-10)17-5-4-9-2-1-3-11(16)6-9/h1-3,6-8H,4-5H2,(H,17,18).
What are the key properties of 5-bromo-3-chloro-N-[2-(3-fluorophenyl)ethyl]pyridin-2-amine?
5-bromo-3-chloro-N-[2-(3-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 5-bromo-3-chloro-N-[2-(3-fluorophenyl)ethyl]pyridin-2-amine is sourced from PubChem (CID 103582390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).