3-bromo-5-chloro-N-methyl-N-[(1-methylimidazol-2-yl)methyl]pyridin-2-amine

C11H12BrClN4 — CID 114837069

IUPAC3-bromo-5-chloro-N-methyl-N-[(1-methylimidazol-2-yl)methyl]pyridin-2-amine
SMILESCN(Cc1nccn1C)c1ncc(Cl)cc1Br
InChIInChI=1S/C11H12BrClN4/c1-16-4-3-14-10(16)7-17(2)11-9(12)5-8(13)6-15-11/h3-6H,7H2,1-2H3
InChIKeyHCEMUKXBWXCTPE-UHFFFAOYSA-N
MW315.60 g/mol
LogP2.87
Rot. Bonds3

About 3-bromo-5-chloro-N-methyl-N-[(1-methylimidazol-2-yl)methyl]pyridin-2-amine

3-bromo-5-chloro-N-methyl-N-[(1-methylimidazol-2-yl)methyl]pyridin-2-amine (PubChem CID 114837069) has the molecular formula C11H12BrClN4 and a molecular weight of 315.60 g/mol. Its IUPAC name is 3-bromo-5-chloro-N-methyl-N-[(1-methylimidazol-2-yl)methyl]pyridin-2-amine.

Molecular Properties

Compound Name3-bromo-5-chloro-N-methyl-N-[(1-methylimidazol-2-yl)methyl]pyridin-2-amine
PubChem CID114837069
Molecular FormulaC11H12BrClN4
Molecular Weight315.60 g/mol
Exact Mass313.99
IUPAC Name3-bromo-5-chloro-N-methyl-N-[(1-methylimidazol-2-yl)methyl]pyridin-2-amine
SMILESCN(Cc1nccn1C)c1ncc(Cl)cc1Br
InChIInChI=1S/C11H12BrClN4/c1-16-4-3-14-10(16)7-17(2)11-9(12)5-8(13)6-15-11/h3-6H,7H2,1-2H3
InChIKeyHCEMUKXBWXCTPE-UHFFFAOYSA-N
XLogP2.87
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.60
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-2-chloro-N-methyl-N-[(1-methylimidazol-2-yl)methyl]pyrimidin-4-amine
CID 79073105
3-chloro-5-(chloromethyl)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]pyridin-2-amine
CID 63025583
3-bromo-5-chloro-N-methyl-N-[(4-methylphenyl)methyl]pyridin-2-amine
CID 114836684
5-chloro-6-[methyl-[(1-methylimidazol-2-yl)methyl]amino]pyridine-3-carboxylic acid
CID 63025804
N'-(3-bromo-5-chloro-2-pyridinyl)-N',2-dimethylpropane-1,3-diamine
CID 114835445
3-chloro-5-(ethylaminomethyl)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]pyridin-2-amine
CID 63026181
5-(aminomethyl)-N,3-dimethyl-N-[(1-methylimidazol-2-yl)methyl]pyridin-2-amine
CID 80635374
5-bromo-N-methyl-N-[(1-methylimidazol-2-yl)methyl]-3-(propylaminomethyl)pyridin-2-amine
CID 63025670
4-(chloromethyl)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]isoquinolin-1-amine
CID 106769175
3-(aminomethyl)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]pyrazin-2-amine
CID 63015295
6-chloro-2-ethyl-N-methyl-N-[(1-methylimidazol-2-yl)methyl]pyrimidin-4-amine
CID 80936276
[5-chloro-6-[methyl-[(1-methylimidazol-2-yl)methyl]amino]-3-pyridinyl]-piperidin-1-ylmethanone
CID 75396529

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-chloro-N-methyl-N-[(1-methylimidazol-2-yl)methyl]pyridin-2-amine?
The IUPAC name of 3-bromo-5-chloro-N-methyl-N-[(1-methylimidazol-2-yl)methyl]pyridin-2-amine (CID 114837069) is 3-bromo-5-chloro-N-methyl-N-[(1-methylimidazol-2-yl)methyl]pyridin-2-amine.
What is the SMILES notation for 3-bromo-5-chloro-N-methyl-N-[(1-methylimidazol-2-yl)methyl]pyridin-2-amine?
The canonical SMILES for 3-bromo-5-chloro-N-methyl-N-[(1-methylimidazol-2-yl)methyl]pyridin-2-amine is CN(Cc1nccn1C)c1ncc(Cl)cc1Br.
What is the InChIKey of 3-bromo-5-chloro-N-methyl-N-[(1-methylimidazol-2-yl)methyl]pyridin-2-amine?
The InChIKey is HCEMUKXBWXCTPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrClN4/c1-16-4-3-14-10(16)7-17(2)11-9(12)5-8(13)6-15-11/h3-6H,7H2,1-2H3.
What are the key properties of 3-bromo-5-chloro-N-methyl-N-[(1-methylimidazol-2-yl)methyl]pyridin-2-amine?
3-bromo-5-chloro-N-methyl-N-[(1-methylimidazol-2-yl)methyl]pyridin-2-amine has a molecular weight of 315.60 g/mol, XLogP of 2.87, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-chloro-N-methyl-N-[(1-methylimidazol-2-yl)methyl]pyridin-2-amine is sourced from PubChem (CID 114837069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).