3-bromo-5-chloro-N-(1H-imidazol-2-ylmethyl)pyridin-2-amine

C9H8BrClN4 — CID 114835941

IUPAC3-bromo-5-chloro-N-(1H-imidazol-2-ylmethyl)pyridin-2-amine
SMILESClc1cnc(NCc2ncc[nH]2)c(Br)c1
InChIInChI=1S/C9H8BrClN4/c10-7-3-6(11)4-14-9(7)15-5-8-12-1-2-13-8/h1-4H,5H2,(H,12,13)(H,14,15)
InChIKeyZLUBPKWNJWHMKI-UHFFFAOYSA-N
MW287.55 g/mol
LogP2.83
Rot. Bonds3

About 3-bromo-5-chloro-N-(1H-imidazol-2-ylmethyl)pyridin-2-amine

3-bromo-5-chloro-N-(1H-imidazol-2-ylmethyl)pyridin-2-amine (PubChem CID 114835941) has the molecular formula C9H8BrClN4 and a molecular weight of 287.55 g/mol. Its IUPAC name is 3-bromo-5-chloro-N-(1H-imidazol-2-ylmethyl)pyridin-2-amine.

Molecular Properties

Compound Name3-bromo-5-chloro-N-(1H-imidazol-2-ylmethyl)pyridin-2-amine
PubChem CID114835941
Molecular FormulaC9H8BrClN4
Molecular Weight287.55 g/mol
Exact Mass285.96
IUPAC Name3-bromo-5-chloro-N-(1H-imidazol-2-ylmethyl)pyridin-2-amine
SMILESClc1cnc(NCc2ncc[nH]2)c(Br)c1
InChIInChI=1S/C9H8BrClN4/c10-7-3-6(11)4-14-9(7)15-5-8-12-1-2-13-8/h1-4H,5H2,(H,12,13)(H,14,15)
InChIKeyZLUBPKWNJWHMKI-UHFFFAOYSA-N
XLogP2.83
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.55
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-N-(1H-imidazol-2-ylmethyl)pyrimidin-4-amine
CID 105369457
3-bromo-5-chloro-N-(pyridin-2-ylmethyl)pyridin-2-amine
CID 114835632
5-bromo-N-(1H-imidazol-2-ylmethyl)-4-methylpyridin-2-amine
CID 83335226
N'-(3-bromo-5-chloro-2-pyridinyl)ethane-1,2-diamine
CID 114835533
3-bromo-5-chloro-N-(3-chloropropyl)pyridin-2-amine
CID 114838460
3-chloro-N-(1H-imidazol-2-ylmethyl)pyridin-2-amine
CID 64531503
3-bromo-5-chloro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pyridin-2-amine
CID 114835766
3-bromo-5-chloro-N-[(2-pyrazol-1-ylphenyl)methyl]pyridin-2-amine
CID 114835748
3-bromo-5-chloro-N-(cyclopropylmethyl)pyridin-2-amine
CID 114835596
3-bromo-5-chloro-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyridin-2-amine
CID 114835829
3-bromo-5-chloro-N-[(2,4-difluorophenyl)methyl]pyridin-2-amine
CID 114835853
[3-[[(3-bromo-5-chloro-2-pyridinyl)amino]methyl]phenyl]methanol
CID 114836485

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-chloro-N-(1H-imidazol-2-ylmethyl)pyridin-2-amine?
The IUPAC name of 3-bromo-5-chloro-N-(1H-imidazol-2-ylmethyl)pyridin-2-amine (CID 114835941) is 3-bromo-5-chloro-N-(1H-imidazol-2-ylmethyl)pyridin-2-amine.
What is the SMILES notation for 3-bromo-5-chloro-N-(1H-imidazol-2-ylmethyl)pyridin-2-amine?
The canonical SMILES for 3-bromo-5-chloro-N-(1H-imidazol-2-ylmethyl)pyridin-2-amine is Clc1cnc(NCc2ncc[nH]2)c(Br)c1.
What is the InChIKey of 3-bromo-5-chloro-N-(1H-imidazol-2-ylmethyl)pyridin-2-amine?
The InChIKey is ZLUBPKWNJWHMKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8BrClN4/c10-7-3-6(11)4-14-9(7)15-5-8-12-1-2-13-8/h1-4H,5H2,(H,12,13)(H,14,15).
What are the key properties of 3-bromo-5-chloro-N-(1H-imidazol-2-ylmethyl)pyridin-2-amine?
3-bromo-5-chloro-N-(1H-imidazol-2-ylmethyl)pyridin-2-amine has a molecular weight of 287.55 g/mol, XLogP of 2.83, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-chloro-N-(1H-imidazol-2-ylmethyl)pyridin-2-amine is sourced from PubChem (CID 114835941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).