2-bromo-4-fluoro-N-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]aniline

C15H13BrFN3 — CID 43772487

IUPAC2-bromo-4-fluoro-N-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]aniline
SMILESCc1nc2ccccn2c1CNc1ccc(F)cc1Br
InChIInChI=1S/C15H13BrFN3/c1-10-14(20-7-3-2-4-15(20)19-10)9-18-13-6-5-11(17)8-12(13)16/h2-8,18H,9H2,1H3
InChIKeyBTNSLRYMVDZODX-UHFFFAOYSA-N
MW334.19 g/mol
LogP4.16
Rot. Bonds3

About 2-bromo-4-fluoro-N-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]aniline

2-bromo-4-fluoro-N-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]aniline (PubChem CID 43772487) has the molecular formula C15H13BrFN3 and a molecular weight of 334.19 g/mol. Its IUPAC name is 2-bromo-4-fluoro-N-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]aniline.

Molecular Properties

Compound Name2-bromo-4-fluoro-N-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]aniline
PubChem CID43772487
Molecular FormulaC15H13BrFN3
Molecular Weight334.19 g/mol
Exact Mass333.03
IUPAC Name2-bromo-4-fluoro-N-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]aniline
SMILESCc1nc2ccccn2c1CNc1ccc(F)cc1Br
InChIInChI=1S/C15H13BrFN3/c1-10-14(20-7-3-2-4-15(20)19-10)9-18-13-6-5-11(17)8-12(13)16/h2-8,18H,9H2,1H3
InChIKeyBTNSLRYMVDZODX-UHFFFAOYSA-N
XLogP4.16
TPSA29.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.19
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-bromo-4-[(2-methylimidazo[1,2-a]pyridin-3-yl)methylamino]benzonitrile
CID 43786518
4-bromo-2-methyl-N-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]aniline
CID 43758785
2-fluoro-N-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]aniline
CID 43763308
6-bromo-N-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]pyridin-3-amine
CID 103934296
2,4,5-trichloro-N-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]aniline
CID 43759055
2-ethyl-N-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]aniline
CID 43764503
5-methyl-N-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]pyridin-3-amine
CID 103823924
2-bromo-4-fluoro-N-[(2-methylquinolin-4-yl)methyl]aniline
CID 79233279
(1R)-1-(3-fluorophenyl)-N-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]ethanamine
CID 81368632
3-fluoro-4-methoxy-N-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]aniline
CID 43775876
N-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]pyridin-2-amine
CID 84758728
N-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]-4-propan-2-ylaniline
CID 43760553

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-fluoro-N-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]aniline?
The IUPAC name of 2-bromo-4-fluoro-N-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]aniline (CID 43772487) is 2-bromo-4-fluoro-N-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]aniline.
What is the SMILES notation for 2-bromo-4-fluoro-N-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]aniline?
The canonical SMILES for 2-bromo-4-fluoro-N-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]aniline is Cc1nc2ccccn2c1CNc1ccc(F)cc1Br.
What is the InChIKey of 2-bromo-4-fluoro-N-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]aniline?
The InChIKey is BTNSLRYMVDZODX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrFN3/c1-10-14(20-7-3-2-4-15(20)19-10)9-18-13-6-5-11(17)8-12(13)16/h2-8,18H,9H2,1H3.
What are the key properties of 2-bromo-4-fluoro-N-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]aniline?
2-bromo-4-fluoro-N-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]aniline has a molecular weight of 334.19 g/mol, XLogP of 4.16, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-fluoro-N-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]aniline is sourced from PubChem (CID 43772487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).