6-bromo-3-[2-(methoxymethyl)phenyl]imidazo[4,5-b]pyridin-2-amine

C14H13BrN4O — CID 79306056

IUPAC6-bromo-3-[2-(methoxymethyl)phenyl]imidazo[4,5-b]pyridin-2-amine
SMILESCOCc1ccccc1-n1c(N)nc2cc(Br)cnc21
InChIInChI=1S/C14H13BrN4O/c1-20-8-9-4-2-3-5-12(9)19-13-11(18-14(19)16)6-10(15)7-17-13/h2-7H,8H2,1H3,(H2,16,18)
InChIKeyWGWQHGKACWUSEJ-UHFFFAOYSA-N
MW333.19 g/mol
LogP2.91
Rot. Bonds3

About 6-bromo-3-[2-(methoxymethyl)phenyl]imidazo[4,5-b]pyridin-2-amine

6-bromo-3-[2-(methoxymethyl)phenyl]imidazo[4,5-b]pyridin-2-amine (PubChem CID 79306056) has the molecular formula C14H13BrN4O and a molecular weight of 333.19 g/mol. Its IUPAC name is 6-bromo-3-[2-(methoxymethyl)phenyl]imidazo[4,5-b]pyridin-2-amine.

Molecular Properties

Compound Name6-bromo-3-[2-(methoxymethyl)phenyl]imidazo[4,5-b]pyridin-2-amine
PubChem CID79306056
Molecular FormulaC14H13BrN4O
Molecular Weight333.19 g/mol
Exact Mass332.03
IUPAC Name6-bromo-3-[2-(methoxymethyl)phenyl]imidazo[4,5-b]pyridin-2-amine
SMILESCOCc1ccccc1-n1c(N)nc2cc(Br)cnc21
InChIInChI=1S/C14H13BrN4O/c1-20-8-9-4-2-3-5-12(9)19-13-11(18-14(19)16)6-10(15)7-17-13/h2-7H,8H2,1H3,(H2,16,18)
InChIKeyWGWQHGKACWUSEJ-UHFFFAOYSA-N
XLogP2.91
TPSA65.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.19
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[2-(methoxymethyl)phenyl]-5-methylimidazo[4,5-b]pyridin-2-amine
CID 81135364
6-bromo-3-(2-bromo-5-methoxyphenyl)imidazo[4,5-b]pyridin-2-amine
CID 79302159
6-bromo-3-(4-methoxy-2-methylphenyl)imidazo[4,5-b]pyridin-2-amine
CID 79306649
6-bromo-2-(chloromethyl)-3-(2-ethylphenyl)imidazo[4,5-b]pyridine
CID 79302952
3-[2-(2-methoxyethyl)phenyl]imidazo[4,5-b]pyridin-2-amine
CID 102906780
6-bromo-3-(2,4,5-trichlorophenyl)imidazo[4,5-b]pyridin-2-amine
CID 79306931
6-bromo-3-(2,4,5-trifluorophenyl)imidazo[4,5-b]pyridin-2-amine
CID 79306062
6-bromo-3-(2-bromo-5-chlorophenyl)imidazo[4,5-b]pyridin-2-amine
CID 81275226
6-bromo-3-(4-ethylphenyl)imidazo[4,5-b]pyridin-2-amine
CID 79306193
6-bromo-3-(3-phenoxypropyl)imidazo[4,5-b]pyridin-2-amine
CID 79279143
6-bromo-3-(pyridin-2-ylmethyl)imidazo[4,5-b]pyridin-2-amine
CID 79306561
6-bromo-3-(2-methylpropyl)imidazo[4,5-b]pyridin-2-amine
CID 79306856

Frequently Asked Questions

What is the IUPAC name of 6-bromo-3-[2-(methoxymethyl)phenyl]imidazo[4,5-b]pyridin-2-amine?
The IUPAC name of 6-bromo-3-[2-(methoxymethyl)phenyl]imidazo[4,5-b]pyridin-2-amine (CID 79306056) is 6-bromo-3-[2-(methoxymethyl)phenyl]imidazo[4,5-b]pyridin-2-amine.
What is the SMILES notation for 6-bromo-3-[2-(methoxymethyl)phenyl]imidazo[4,5-b]pyridin-2-amine?
The canonical SMILES for 6-bromo-3-[2-(methoxymethyl)phenyl]imidazo[4,5-b]pyridin-2-amine is COCc1ccccc1-n1c(N)nc2cc(Br)cnc21.
What is the InChIKey of 6-bromo-3-[2-(methoxymethyl)phenyl]imidazo[4,5-b]pyridin-2-amine?
The InChIKey is WGWQHGKACWUSEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrN4O/c1-20-8-9-4-2-3-5-12(9)19-13-11(18-14(19)16)6-10(15)7-17-13/h2-7H,8H2,1H3,(H2,16,18).
What are the key properties of 6-bromo-3-[2-(methoxymethyl)phenyl]imidazo[4,5-b]pyridin-2-amine?
6-bromo-3-[2-(methoxymethyl)phenyl]imidazo[4,5-b]pyridin-2-amine has a molecular weight of 333.19 g/mol, XLogP of 2.91, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-3-[2-(methoxymethyl)phenyl]imidazo[4,5-b]pyridin-2-amine is sourced from PubChem (CID 79306056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).