3,5-dibromo-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]pyridin-2-amine

C11H15Br2N3 — CID 104973107

IUPAC3,5-dibromo-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]pyridin-2-amine
SMILESBrc1cnc(NCC[C@H]2CCCN2)c(Br)c1
InChIInChI=1S/C11H15Br2N3/c12-8-6-10(13)11(16-7-8)15-5-3-9-2-1-4-14-9/h6-7,9,14H,1-5H2,(H,15,16)/t9-/m1/s1
InChIKeyDYQHIZHMBMUPMN-SECBINFHSA-N
MW349.07 g/mol
LogP3.16
Rot. Bonds4

About 3,5-dibromo-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]pyridin-2-amine

3,5-dibromo-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]pyridin-2-amine (PubChem CID 104973107) has the molecular formula C11H15Br2N3 and a molecular weight of 349.07 g/mol. Its IUPAC name is 3,5-dibromo-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]pyridin-2-amine.

Molecular Properties

Compound Name3,5-dibromo-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]pyridin-2-amine
PubChem CID104973107
Molecular FormulaC11H15Br2N3
Molecular Weight349.07 g/mol
Exact Mass346.96
IUPAC Name3,5-dibromo-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]pyridin-2-amine
SMILESBrc1cnc(NCC[C@H]2CCCN2)c(Br)c1
InChIInChI=1S/C11H15Br2N3/c12-8-6-10(13)11(16-7-8)15-5-3-9-2-1-4-14-9/h6-7,9,14H,1-5H2,(H,15,16)/t9-/m1/s1
InChIKeyDYQHIZHMBMUPMN-SECBINFHSA-N
XLogP3.16
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.07
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-bromo-5-methyl-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]pyridin-2-amine
CID 105367436
3-bromo-5-methyl-N-(2-pyrrolidin-2-ylethyl)pyridin-2-amine
CID 105367435
3,5-dibromo-N-(2-piperidin-3-ylethyl)pyridin-2-amine
CID 113413746
7-bromo-N-(2-pyrrolidin-2-ylethyl)-1,5-naphthyridin-4-amine
CID 114794555
3,6-dimethyl-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]pyrazin-2-amine
CID 104973149
3-bromo-4-methyl-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]pyridin-2-amine
CID 106876235
5-iodo-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]pyrimidin-4-amine
CID 104973134
3-methyl-5-nitro-N-(2-pyrrolidin-2-ylethyl)pyridin-2-amine
CID 114794444
5-bromo-3-nitro-N-(pyrrolidin-2-ylmethyl)pyridin-2-amine
CID 62542196
5-bromo-2-methyl-N-(2-pyrrolidin-2-ylethyl)aniline
CID 115210168
3-methyl-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]pyridin-2-amine
CID 104973363
3,5-dibromo-N-[2-(3,5-difluorophenyl)ethyl]pyridin-2-amine
CID 113413696

Frequently Asked Questions

What is the IUPAC name of 3,5-dibromo-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]pyridin-2-amine?
The IUPAC name of 3,5-dibromo-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]pyridin-2-amine (CID 104973107) is 3,5-dibromo-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]pyridin-2-amine.
What is the SMILES notation for 3,5-dibromo-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]pyridin-2-amine?
The canonical SMILES for 3,5-dibromo-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]pyridin-2-amine is Brc1cnc(NCC[C@H]2CCCN2)c(Br)c1.
What is the InChIKey of 3,5-dibromo-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]pyridin-2-amine?
The InChIKey is DYQHIZHMBMUPMN-SECBINFHSA-N. The full InChI is InChI=1S/C11H15Br2N3/c12-8-6-10(13)11(16-7-8)15-5-3-9-2-1-4-14-9/h6-7,9,14H,1-5H2,(H,15,16)/t9-/m1/s1.
What are the key properties of 3,5-dibromo-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]pyridin-2-amine?
3,5-dibromo-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]pyridin-2-amine has a molecular weight of 349.07 g/mol, XLogP of 3.16, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dibromo-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]pyridin-2-amine is sourced from PubChem (CID 104973107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).