5-bromo-2-N-[(1-methylimidazol-2-yl)methyl]pyridine-2,3-diamine

C10H12BrN5 — CID 63293701

IUPAC5-bromo-2-N-[(1-methylimidazol-2-yl)methyl]pyridine-2,3-diamine
SMILESCn1ccnc1CNc1ncc(Br)cc1N
InChIInChI=1S/C10H12BrN5/c1-16-3-2-13-9(16)6-15-10-8(12)4-7(11)5-14-10/h2-5H,6,12H2,1H3,(H,14,15)
InChIKeyCVXGAZVFWYZTSR-UHFFFAOYSA-N
MW282.14 g/mol
LogP1.77
Rot. Bonds3

About 5-bromo-2-N-[(1-methylimidazol-2-yl)methyl]pyridine-2,3-diamine

5-bromo-2-N-[(1-methylimidazol-2-yl)methyl]pyridine-2,3-diamine (PubChem CID 63293701) has the molecular formula C10H12BrN5 and a molecular weight of 282.14 g/mol. Its IUPAC name is 5-bromo-2-N-[(1-methylimidazol-2-yl)methyl]pyridine-2,3-diamine.

Molecular Properties

Compound Name5-bromo-2-N-[(1-methylimidazol-2-yl)methyl]pyridine-2,3-diamine
PubChem CID63293701
Molecular FormulaC10H12BrN5
Molecular Weight282.14 g/mol
Exact Mass281.03
IUPAC Name5-bromo-2-N-[(1-methylimidazol-2-yl)methyl]pyridine-2,3-diamine
SMILESCn1ccnc1CNc1ncc(Br)cc1N
InChIInChI=1S/C10H12BrN5/c1-16-3-2-13-9(16)6-15-10-8(12)4-7(11)5-14-10/h2-5H,6,12H2,1H3,(H,14,15)
InChIKeyCVXGAZVFWYZTSR-UHFFFAOYSA-N
XLogP1.77
TPSA68.76 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.14
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-bromo-3-fluoro-N-[(1-methylimidazol-2-yl)methyl]pyridin-2-amine
CID 104924181
5-amino-6-[(1-methylimidazol-2-yl)methylamino]pyridine-3-carbonitrile
CID 103468425
4-methyl-2-N-[(1-methylimidazol-2-yl)methyl]pyridine-2,5-diamine
CID 79175761
5-bromo-2-(methylamino)-N-[(1-methylimidazol-2-yl)methyl]pyridine-3-sulfonamide
CID 63295582
5-bromo-2-N-[(1,5-dimethylpyrazol-4-yl)methyl]pyridine-2,3-diamine
CID 106035477
5-methyl-2-N-[2-(1-methylimidazol-2-yl)ethyl]pyridine-2,3-diamine
CID 66278222
4-bromo-2,6-dimethyl-N-[(1-methylimidazol-2-yl)methyl]aniline
CID 43142883
5-bromo-2-N-(2,2-dimethylbutyl)pyridine-2,3-diamine
CID 103460153
3-bromo-N-[(1-methylimidazol-2-yl)methyl]aniline
CID 43087909
3-methyl-N-[(1-methylimidazol-2-yl)methyl]pyrazin-2-amine
CID 83062959
2-amino-4-bromo-N-[(1-methylimidazol-2-yl)methyl]benzamide
CID 79721607
6-methoxy-2-N-[(1-methylimidazol-2-yl)methyl]pyridine-2,3-diamine
CID 115320795

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-N-[(1-methylimidazol-2-yl)methyl]pyridine-2,3-diamine?
The IUPAC name of 5-bromo-2-N-[(1-methylimidazol-2-yl)methyl]pyridine-2,3-diamine (CID 63293701) is 5-bromo-2-N-[(1-methylimidazol-2-yl)methyl]pyridine-2,3-diamine.
What is the SMILES notation for 5-bromo-2-N-[(1-methylimidazol-2-yl)methyl]pyridine-2,3-diamine?
The canonical SMILES for 5-bromo-2-N-[(1-methylimidazol-2-yl)methyl]pyridine-2,3-diamine is Cn1ccnc1CNc1ncc(Br)cc1N.
What is the InChIKey of 5-bromo-2-N-[(1-methylimidazol-2-yl)methyl]pyridine-2,3-diamine?
The InChIKey is CVXGAZVFWYZTSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrN5/c1-16-3-2-13-9(16)6-15-10-8(12)4-7(11)5-14-10/h2-5H,6,12H2,1H3,(H,14,15).
What are the key properties of 5-bromo-2-N-[(1-methylimidazol-2-yl)methyl]pyridine-2,3-diamine?
5-bromo-2-N-[(1-methylimidazol-2-yl)methyl]pyridine-2,3-diamine has a molecular weight of 282.14 g/mol, XLogP of 1.77, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-N-[(1-methylimidazol-2-yl)methyl]pyridine-2,3-diamine is sourced from PubChem (CID 63293701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).