2,5-dibromo-N-(pyridin-2-ylmethyl)aniline

C12H10Br2N2 — CID 43736724

IUPAC2,5-dibromo-N-(pyridin-2-ylmethyl)aniline
SMILESBrc1ccc(Br)c(NCc2ccccn2)c1
InChIInChI=1S/C12H10Br2N2/c13-9-4-5-11(14)12(7-9)16-8-10-3-1-2-6-15-10/h1-7,16H,8H2
InChIKeyVYLQNEPBKVZXKE-UHFFFAOYSA-N
MW342.03 g/mol
LogP4.22
Rot. Bonds3

About 2,5-dibromo-N-(pyridin-2-ylmethyl)aniline

2,5-dibromo-N-(pyridin-2-ylmethyl)aniline (PubChem CID 43736724) has the molecular formula C12H10Br2N2 and a molecular weight of 342.03 g/mol. Its IUPAC name is 2,5-dibromo-N-(pyridin-2-ylmethyl)aniline.

Molecular Properties

Compound Name2,5-dibromo-N-(pyridin-2-ylmethyl)aniline
PubChem CID43736724
Molecular FormulaC12H10Br2N2
Molecular Weight342.03 g/mol
Exact Mass339.92
IUPAC Name2,5-dibromo-N-(pyridin-2-ylmethyl)aniline
SMILESBrc1ccc(Br)c(NCc2ccccn2)c1
InChIInChI=1S/C12H10Br2N2/c13-9-4-5-11(14)12(7-9)16-8-10-3-1-2-6-15-10/h1-7,16H,8H2
InChIKeyVYLQNEPBKVZXKE-UHFFFAOYSA-N
XLogP4.22
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.03
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-bromo-2-chloro-N-(pyridin-2-ylmethyl)aniline
CID 62913558
4-bromo-1-N-methoxy-2-N-(pyridin-2-ylmethyl)benzene-1,2-diamine
CID 144790144
2,5-dibromo-N-(quinoxalin-2-ylmethyl)aniline
CID 43789270
6-[(2,5-dibromoanilino)methyl]pyridin-3-ol
CID 79782859
2,5-dibromo-N-[(3-methyl-2-pyridinyl)methyl]aniline
CID 112650097
2,5-dibromo-N-(1,3-thiazol-2-ylmethyl)aniline
CID 63656219
2,4-dibromo-N-(2-pyridin-2-ylethyl)aniline
CID 54952691
6-bromo-N-(pyridin-2-ylmethyl)quinazolin-4-amine
CID 21002502
2-[(2,5-dibromophenyl)methyl]pyridine
CID 152592828
6-[(2,5-dibromoanilino)methyl]pyridine-2-carboxylic acid
CID 106904582
3-bromo-4-(pyridin-2-ylmethylamino)benzenecarbothioamide
CID 82804317
2-bromo-4-methyl-5-nitro-N-(pyridin-2-ylmethyl)aniline
CID 104815004

Frequently Asked Questions

What is the IUPAC name of 2,5-dibromo-N-(pyridin-2-ylmethyl)aniline?
The IUPAC name of 2,5-dibromo-N-(pyridin-2-ylmethyl)aniline (CID 43736724) is 2,5-dibromo-N-(pyridin-2-ylmethyl)aniline.
What is the SMILES notation for 2,5-dibromo-N-(pyridin-2-ylmethyl)aniline?
The canonical SMILES for 2,5-dibromo-N-(pyridin-2-ylmethyl)aniline is Brc1ccc(Br)c(NCc2ccccn2)c1.
What is the InChIKey of 2,5-dibromo-N-(pyridin-2-ylmethyl)aniline?
The InChIKey is VYLQNEPBKVZXKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10Br2N2/c13-9-4-5-11(14)12(7-9)16-8-10-3-1-2-6-15-10/h1-7,16H,8H2.
What are the key properties of 2,5-dibromo-N-(pyridin-2-ylmethyl)aniline?
2,5-dibromo-N-(pyridin-2-ylmethyl)aniline has a molecular weight of 342.03 g/mol, XLogP of 4.22, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dibromo-N-(pyridin-2-ylmethyl)aniline is sourced from PubChem (CID 43736724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).