N-[(3,5-dibromo-2-pyridinyl)methyl]-1-pyridin-2-ylmethanamine

C12H11Br2N3 — CID 113393640

IUPACN-[(3,5-dibromo-2-pyridinyl)methyl]-1-pyridin-2-ylmethanamine
SMILESBrc1cnc(CNCc2ccccn2)c(Br)c1
InChIInChI=1S/C12H11Br2N3/c13-9-5-11(14)12(17-6-9)8-15-7-10-3-1-2-4-16-10/h1-6,15H,7-8H2
InChIKeyAFZPKTJIDZRQJT-UHFFFAOYSA-N
MW357.05 g/mol
LogP3.29
Rot. Bonds4

About N-[(3,5-dibromo-2-pyridinyl)methyl]-1-pyridin-2-ylmethanamine

N-[(3,5-dibromo-2-pyridinyl)methyl]-1-pyridin-2-ylmethanamine (PubChem CID 113393640) has the molecular formula C12H11Br2N3 and a molecular weight of 357.05 g/mol. Its IUPAC name is N-[(3,5-dibromo-2-pyridinyl)methyl]-1-pyridin-2-ylmethanamine.

Molecular Properties

Compound NameN-[(3,5-dibromo-2-pyridinyl)methyl]-1-pyridin-2-ylmethanamine
PubChem CID113393640
Molecular FormulaC12H11Br2N3
Molecular Weight357.05 g/mol
Exact Mass354.93
IUPAC NameN-[(3,5-dibromo-2-pyridinyl)methyl]-1-pyridin-2-ylmethanamine
SMILESBrc1cnc(CNCc2ccccn2)c(Br)c1
InChIInChI=1S/C12H11Br2N3/c13-9-5-11(14)12(17-6-9)8-15-7-10-3-1-2-4-16-10/h1-6,15H,7-8H2
InChIKeyAFZPKTJIDZRQJT-UHFFFAOYSA-N
XLogP3.29
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.05
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

zinc;1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine;dihydrochloride
CID 73345757
N-(pyridin-2-ylmethyl)-1-[6-[(pyridin-2-ylmethylamino)methyl]-2-pyridinyl]methanamine
CID 564837
N'-(pyridin-2-ylmethyl)-N-[2-(pyridin-2-ylmethylamino)ethyl]ethane-1,2-diamine
CID 12029921
2-bromo-6-[(pyridin-2-ylmethylamino)methyl]phenol
CID 61389966
1-(3,5-dibromo-2-pyridinyl)-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]methanamine
CID 113428371
1-(3-bromo-4-methoxyphenyl)-N-(pyridin-2-ylmethyl)methanamine
CID 29223796
2,5-dibromo-N-(pyridin-2-ylmethyl)aniline
CID 43736724
1-(5-bromoquinolin-8-yl)-N-(pyridin-2-ylmethyl)methanamine
CID 115959018
N-[(3,5-dibromo-2-pyridinyl)methyl]-2-ethyl-2-methylsulfanylbutan-1-amine
CID 113428364
3-bromo-N-(pyridin-2-ylmethyl)propan-1-amine
CID 114293539
(3,5-dibromo-2-pyridinyl)methanamine;hydrochloride
CID 133055680
N-(pyridin-2-ylmethyl)-2-(2,4,6-tribromophenoxy)acetamide
CID 17359500

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dibromo-2-pyridinyl)methyl]-1-pyridin-2-ylmethanamine?
The IUPAC name of N-[(3,5-dibromo-2-pyridinyl)methyl]-1-pyridin-2-ylmethanamine (CID 113393640) is N-[(3,5-dibromo-2-pyridinyl)methyl]-1-pyridin-2-ylmethanamine.
What is the SMILES notation for N-[(3,5-dibromo-2-pyridinyl)methyl]-1-pyridin-2-ylmethanamine?
The canonical SMILES for N-[(3,5-dibromo-2-pyridinyl)methyl]-1-pyridin-2-ylmethanamine is Brc1cnc(CNCc2ccccn2)c(Br)c1.
What is the InChIKey of N-[(3,5-dibromo-2-pyridinyl)methyl]-1-pyridin-2-ylmethanamine?
The InChIKey is AFZPKTJIDZRQJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11Br2N3/c13-9-5-11(14)12(17-6-9)8-15-7-10-3-1-2-4-16-10/h1-6,15H,7-8H2.
What are the key properties of N-[(3,5-dibromo-2-pyridinyl)methyl]-1-pyridin-2-ylmethanamine?
N-[(3,5-dibromo-2-pyridinyl)methyl]-1-pyridin-2-ylmethanamine has a molecular weight of 357.05 g/mol, XLogP of 3.29, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dibromo-2-pyridinyl)methyl]-1-pyridin-2-ylmethanamine is sourced from PubChem (CID 113393640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).