5-bromo-2,4-difluoro-N-(imidazo[1,2-a]pyridin-2-ylmethyl)aniline

C14H10BrF2N3 — CID 102847163

IUPAC5-bromo-2,4-difluoro-N-(imidazo[1,2-a]pyridin-2-ylmethyl)aniline
SMILESFc1cc(F)c(NCc2cn3ccccc3n2)cc1Br
InChIInChI=1S/C14H10BrF2N3/c15-10-5-13(12(17)6-11(10)16)18-7-9-8-20-4-2-1-3-14(20)19-9/h1-6,8,18H,7H2
InChIKeyQNLSIUSYRDBPFM-UHFFFAOYSA-N
MW338.16 g/mol
LogP3.99
Rot. Bonds3

About 5-bromo-2,4-difluoro-N-(imidazo[1,2-a]pyridin-2-ylmethyl)aniline

5-bromo-2,4-difluoro-N-(imidazo[1,2-a]pyridin-2-ylmethyl)aniline (PubChem CID 102847163) has the molecular formula C14H10BrF2N3 and a molecular weight of 338.16 g/mol. Its IUPAC name is 5-bromo-2,4-difluoro-N-(imidazo[1,2-a]pyridin-2-ylmethyl)aniline.

Molecular Properties

Compound Name5-bromo-2,4-difluoro-N-(imidazo[1,2-a]pyridin-2-ylmethyl)aniline
PubChem CID102847163
Molecular FormulaC14H10BrF2N3
Molecular Weight338.16 g/mol
Exact Mass337.00
IUPAC Name5-bromo-2,4-difluoro-N-(imidazo[1,2-a]pyridin-2-ylmethyl)aniline
SMILESFc1cc(F)c(NCc2cn3ccccc3n2)cc1Br
InChIInChI=1S/C14H10BrF2N3/c15-10-5-13(12(17)6-11(10)16)18-7-9-8-20-4-2-1-3-14(20)19-9/h1-6,8,18H,7H2
InChIKeyQNLSIUSYRDBPFM-UHFFFAOYSA-N
XLogP3.99
TPSA29.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.16
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

2-bromo-6-fluoro-N-(imidazo[1,2-a]pyridin-2-ylmethyl)aniline
CID 103741882
2-fluoro-N-(imidazo[1,2-a]pyridin-2-ylmethyl)-4-nitroaniline
CID 36783664
4-fluoro-N-(imidazo[1,2-a]pyridin-2-ylmethyl)aniline
CID 759208
3-bromo-N-(imidazo[1,2-a]pyridin-2-ylmethyl)aniline
CID 4701924
4-fluoro-N-(imidazo[1,2-a]pyridin-2-ylmethyl)-3-methylaniline
CID 55118825
N-(imidazo[1,2-a]pyridin-2-ylmethyl)-2-phenylaniline
CID 43825852
1-(2,5-difluorophenyl)-N-(imidazo[1,2-a]pyridin-2-ylmethyl)methanamine
CID 63030565
4-chloro-N-(imidazo[1,2-a]pyridin-2-ylmethyl)aniline
CID 2967719
2-chloro-N-(imidazo[1,2-a]pyridin-2-ylmethyl)-5-methylaniline
CID 103768036
2,5-dichloro-N-(imidazo[1,2-a]pyridin-2-ylmethyl)-4-methylaniline
CID 104726088
N-(imidazo[1,2-a]pyridin-2-ylmethyl)-2-iodoethanamine
CID 114505443
N-(imidazo[1,2-a]pyridin-2-ylmethyl)naphthalen-2-amine
CID 43400804

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2,4-difluoro-N-(imidazo[1,2-a]pyridin-2-ylmethyl)aniline?
The IUPAC name of 5-bromo-2,4-difluoro-N-(imidazo[1,2-a]pyridin-2-ylmethyl)aniline (CID 102847163) is 5-bromo-2,4-difluoro-N-(imidazo[1,2-a]pyridin-2-ylmethyl)aniline.
What is the SMILES notation for 5-bromo-2,4-difluoro-N-(imidazo[1,2-a]pyridin-2-ylmethyl)aniline?
The canonical SMILES for 5-bromo-2,4-difluoro-N-(imidazo[1,2-a]pyridin-2-ylmethyl)aniline is Fc1cc(F)c(NCc2cn3ccccc3n2)cc1Br.
What is the InChIKey of 5-bromo-2,4-difluoro-N-(imidazo[1,2-a]pyridin-2-ylmethyl)aniline?
The InChIKey is QNLSIUSYRDBPFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrF2N3/c15-10-5-13(12(17)6-11(10)16)18-7-9-8-20-4-2-1-3-14(20)19-9/h1-6,8,18H,7H2.
What are the key properties of 5-bromo-2,4-difluoro-N-(imidazo[1,2-a]pyridin-2-ylmethyl)aniline?
5-bromo-2,4-difluoro-N-(imidazo[1,2-a]pyridin-2-ylmethyl)aniline has a molecular weight of 338.16 g/mol, XLogP of 3.99, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2,4-difluoro-N-(imidazo[1,2-a]pyridin-2-ylmethyl)aniline is sourced from PubChem (CID 102847163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).