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

C10H10BrFN4 — CID 104924181

IUPAC5-bromo-3-fluoro-N-[(1-methylimidazol-2-yl)methyl]pyridin-2-amine
SMILESCn1ccnc1CNc1ncc(Br)cc1F
InChIInChI=1S/C10H10BrFN4/c1-16-3-2-13-9(16)6-15-10-8(12)4-7(11)5-14-10/h2-5H,6H2,1H3,(H,14,15)
InChIKeyFLKIHHWIUFMUCV-UHFFFAOYSA-N
MW285.12 g/mol
LogP2.33
Rot. Bonds3

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

5-bromo-3-fluoro-N-[(1-methylimidazol-2-yl)methyl]pyridin-2-amine (PubChem CID 104924181) has the molecular formula C10H10BrFN4 and a molecular weight of 285.12 g/mol. Its IUPAC name is 5-bromo-3-fluoro-N-[(1-methylimidazol-2-yl)methyl]pyridin-2-amine.

Molecular Properties

Compound Name5-bromo-3-fluoro-N-[(1-methylimidazol-2-yl)methyl]pyridin-2-amine
PubChem CID104924181
Molecular FormulaC10H10BrFN4
Molecular Weight285.12 g/mol
Exact Mass284.01
IUPAC Name5-bromo-3-fluoro-N-[(1-methylimidazol-2-yl)methyl]pyridin-2-amine
SMILESCn1ccnc1CNc1ncc(Br)cc1F
InChIInChI=1S/C10H10BrFN4/c1-16-3-2-13-9(16)6-15-10-8(12)4-7(11)5-14-10/h2-5H,6H2,1H3,(H,14,15)
InChIKeyFLKIHHWIUFMUCV-UHFFFAOYSA-N
XLogP2.33
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.12
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-2-N-[(1-methylimidazol-2-yl)methyl]pyridine-2,3-diamine
CID 63293701
5-bromo-2-(methylamino)-N-[(1-methylimidazol-2-yl)methyl]pyridine-3-sulfonamide
CID 63295582
5-fluoro-2-N-methyl-4-N-[(1-methylimidazol-2-yl)methyl]pyrimidine-2,4-diamine
CID 80829925
4-bromo-2,6-dimethyl-N-[(1-methylimidazol-2-yl)methyl]aniline
CID 43142883
5-fluoro-2-hydrazinyl-N-[(1-methylimidazol-2-yl)methyl]pyrimidin-4-amine
CID 80914824
2-N-ethyl-5-fluoro-4-N-[(1-methylimidazol-2-yl)methyl]pyrimidine-2,4-diamine
CID 80829928
5-bromo-3-fluoro-N-(2-pyrazol-1-ylethyl)pyridin-2-amine
CID 104918929
2,6-difluoro-N-[(1-methylimidazol-2-yl)methyl]aniline
CID 43088131
3-bromo-N-[(1-methylimidazol-2-yl)methyl]aniline
CID 43087909
5-bromo-3-fluoro-N-(2-imidazol-1-ylethyl)pyridin-2-amine
CID 104923734
3-methyl-N-[(1-methylimidazol-2-yl)methyl]pyrazin-2-amine
CID 83062959
4-bromo-2-fluoro-N-[2-(1-methylimidazol-2-yl)ethyl]aniline
CID 114527453

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-fluoro-N-[(1-methylimidazol-2-yl)methyl]pyridin-2-amine?
The IUPAC name of 5-bromo-3-fluoro-N-[(1-methylimidazol-2-yl)methyl]pyridin-2-amine (CID 104924181) is 5-bromo-3-fluoro-N-[(1-methylimidazol-2-yl)methyl]pyridin-2-amine.
What is the SMILES notation for 5-bromo-3-fluoro-N-[(1-methylimidazol-2-yl)methyl]pyridin-2-amine?
The canonical SMILES for 5-bromo-3-fluoro-N-[(1-methylimidazol-2-yl)methyl]pyridin-2-amine is Cn1ccnc1CNc1ncc(Br)cc1F.
What is the InChIKey of 5-bromo-3-fluoro-N-[(1-methylimidazol-2-yl)methyl]pyridin-2-amine?
The InChIKey is FLKIHHWIUFMUCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrFN4/c1-16-3-2-13-9(16)6-15-10-8(12)4-7(11)5-14-10/h2-5H,6H2,1H3,(H,14,15).
What are the key properties of 5-bromo-3-fluoro-N-[(1-methylimidazol-2-yl)methyl]pyridin-2-amine?
5-bromo-3-fluoro-N-[(1-methylimidazol-2-yl)methyl]pyridin-2-amine has a molecular weight of 285.12 g/mol, XLogP of 2.33, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-fluoro-N-[(1-methylimidazol-2-yl)methyl]pyridin-2-amine is sourced from PubChem (CID 104924181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).