3,5-dibromo-N-[(2-chlorophenyl)methyl]pyridin-2-amine

C12H9Br2ClN2 — CID 12611962

IUPAC3,5-dibromo-N-[(2-chlorophenyl)methyl]pyridin-2-amine
SMILESClc1ccccc1CNc1ncc(Br)cc1Br
InChIInChI=1S/C12H9Br2ClN2/c13-9-5-10(14)12(17-7-9)16-6-8-3-1-2-4-11(8)15/h1-5,7H,6H2,(H,16,17)
InChIKeyQTXIDGRNPXETCV-UHFFFAOYSA-N
MW376.48 g/mol
LogP4.87
Rot. Bonds3

About 3,5-dibromo-N-[(2-chlorophenyl)methyl]pyridin-2-amine

3,5-dibromo-N-[(2-chlorophenyl)methyl]pyridin-2-amine (PubChem CID 12611962) has the molecular formula C12H9Br2ClN2 and a molecular weight of 376.48 g/mol. Its IUPAC name is 3,5-dibromo-N-[(2-chlorophenyl)methyl]pyridin-2-amine.

Molecular Properties

Compound Name3,5-dibromo-N-[(2-chlorophenyl)methyl]pyridin-2-amine
PubChem CID12611962
Molecular FormulaC12H9Br2ClN2
Molecular Weight376.48 g/mol
Exact Mass373.88
IUPAC Name3,5-dibromo-N-[(2-chlorophenyl)methyl]pyridin-2-amine
SMILESClc1ccccc1CNc1ncc(Br)cc1Br
InChIInChI=1S/C12H9Br2ClN2/c13-9-5-10(14)12(17-7-9)16-6-8-3-1-2-4-11(8)15/h1-5,7H,6H2,(H,16,17)
InChIKeyQTXIDGRNPXETCV-UHFFFAOYSA-N
XLogP4.87
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.48
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,4-dibromo-N-[(2-chlorophenyl)methyl]aniline
CID 43229923
2-[[(3,5-dibromo-2-pyridinyl)amino]methyl]-6-methoxyphenol
CID 662389
3-bromo-N-[(2-bromophenyl)methyl]-5-methylpyridin-2-amine
CID 105366810
3,5-dibromo-N-[2-(2-methylphenyl)ethyl]pyridin-2-amine
CID 113413714
2,5-dibromo-N-[(2-chlorophenyl)methyl]aniline
CID 43432251
5-bromo-N-[(2-bromophenyl)methyl]-3-(trifluoromethyl)pyridin-2-amine
CID 106796056
3-bromo-5-chloro-N-[(2-pyrazol-1-ylphenyl)methyl]pyridin-2-amine
CID 114835748
4-N-(4-bromophenyl)-6-N-[(2-chlorophenyl)methyl]pyrimidine-4,5,6-triamine
CID 19148860
3-bromo-5-methyl-N-(naphthalen-1-ylmethyl)pyridin-2-amine
CID 105366894
3,5-dibromo-N-[(1,3-dimethylpyrazol-4-yl)methyl]pyridin-2-amine
CID 113413721
3-bromo-2-N-(naphthalen-1-ylmethyl)pyridine-2,5-diamine
CID 79535450
3,5-dibromo-N-(3-phenoxypropyl)pyridin-2-amine
CID 113413693

Frequently Asked Questions

What is the IUPAC name of 3,5-dibromo-N-[(2-chlorophenyl)methyl]pyridin-2-amine?
The IUPAC name of 3,5-dibromo-N-[(2-chlorophenyl)methyl]pyridin-2-amine (CID 12611962) is 3,5-dibromo-N-[(2-chlorophenyl)methyl]pyridin-2-amine.
What is the SMILES notation for 3,5-dibromo-N-[(2-chlorophenyl)methyl]pyridin-2-amine?
The canonical SMILES for 3,5-dibromo-N-[(2-chlorophenyl)methyl]pyridin-2-amine is Clc1ccccc1CNc1ncc(Br)cc1Br.
What is the InChIKey of 3,5-dibromo-N-[(2-chlorophenyl)methyl]pyridin-2-amine?
The InChIKey is QTXIDGRNPXETCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9Br2ClN2/c13-9-5-10(14)12(17-7-9)16-6-8-3-1-2-4-11(8)15/h1-5,7H,6H2,(H,16,17).
What are the key properties of 3,5-dibromo-N-[(2-chlorophenyl)methyl]pyridin-2-amine?
3,5-dibromo-N-[(2-chlorophenyl)methyl]pyridin-2-amine has a molecular weight of 376.48 g/mol, XLogP of 4.87, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dibromo-N-[(2-chlorophenyl)methyl]pyridin-2-amine is sourced from PubChem (CID 12611962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).