3,5-dibromo-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]pyridin-2-amine

C12H15Br2N3 — CID 107488677

IUPAC3,5-dibromo-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]pyridin-2-amine
SMILESBrc1cnc(NCCC2=CCNCC2)c(Br)c1
InChIInChI=1S/C12H15Br2N3/c13-10-7-11(14)12(17-8-10)16-6-3-9-1-4-15-5-2-9/h1,7-8,15H,2-6H2,(H,16,17)
InChIKeyNGCCXSGMSJVCRU-UHFFFAOYSA-N
MW361.08 g/mol
LogP3.33
Rot. Bonds4

About 3,5-dibromo-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]pyridin-2-amine

3,5-dibromo-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]pyridin-2-amine (PubChem CID 107488677) has the molecular formula C12H15Br2N3 and a molecular weight of 361.08 g/mol. Its IUPAC name is 3,5-dibromo-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]pyridin-2-amine.

Molecular Properties

Compound Name3,5-dibromo-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]pyridin-2-amine
PubChem CID107488677
Molecular FormulaC12H15Br2N3
Molecular Weight361.08 g/mol
Exact Mass358.96
IUPAC Name3,5-dibromo-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]pyridin-2-amine
SMILESBrc1cnc(NCCC2=CCNCC2)c(Br)c1
InChIInChI=1S/C12H15Br2N3/c13-10-7-11(14)12(17-8-10)16-6-3-9-1-4-15-5-2-9/h1,7-8,15H,2-6H2,(H,16,17)
InChIKeyNGCCXSGMSJVCRU-UHFFFAOYSA-N
XLogP3.33
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.08
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

5-bromo-3-nitro-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]pyridin-2-amine
CID 107488721
5-bromo-N-[2-(cyclopenten-1-yl)ethyl]-3-fluoropyridin-2-amine
CID 104925005
3,5-dibromo-N-[2-(3,5-difluorophenyl)ethyl]pyridin-2-amine
CID 113413696
3,5-dibromo-N-(2-piperidin-3-ylethyl)pyridin-2-amine
CID 113413746
3,5-dibromo-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]pyridin-2-amine
CID 104973107
5,6-dimethyl-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]pyrazin-2-amine
CID 107489063
3,5-dibromo-N-[2-(2-methylphenyl)ethyl]pyridin-2-amine
CID 113413714
3,5-dibromo-N-(2-propan-2-yloxyethyl)pyridin-2-amine
CID 104762434
7-methoxy-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]isoquinolin-1-amine
CID 107488396
3-bromo-4-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethylamino]benzamide
CID 107489144
N-[2-[(3,5-dibromo-2-pyridinyl)amino]ethyl]cyclopropanecarboxamide
CID 113481404
sodium 3-[(3,5-dibromo-2-pyridinyl)amino]propane-1-sulfonate
CID 102278742

Frequently Asked Questions

What is the IUPAC name of 3,5-dibromo-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]pyridin-2-amine?
The IUPAC name of 3,5-dibromo-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]pyridin-2-amine (CID 107488677) is 3,5-dibromo-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]pyridin-2-amine.
What is the SMILES notation for 3,5-dibromo-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]pyridin-2-amine?
The canonical SMILES for 3,5-dibromo-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]pyridin-2-amine is Brc1cnc(NCCC2=CCNCC2)c(Br)c1.
What is the InChIKey of 3,5-dibromo-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]pyridin-2-amine?
The InChIKey is NGCCXSGMSJVCRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15Br2N3/c13-10-7-11(14)12(17-8-10)16-6-3-9-1-4-15-5-2-9/h1,7-8,15H,2-6H2,(H,16,17).
What are the key properties of 3,5-dibromo-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]pyridin-2-amine?
3,5-dibromo-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]pyridin-2-amine has a molecular weight of 361.08 g/mol, XLogP of 3.33, 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-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]pyridin-2-amine is sourced from PubChem (CID 107488677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).