(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)methyl N-methylcarbamate

C9H9BrN4O2 — CID 140638351

IUPAC(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)methyl N-methylcarbamate
SMILESCNC(=O)OCc1nc2ncc(Br)cc2[nH]1
InChIInChI=1S/C9H9BrN4O2/c1-11-9(15)16-4-7-13-6-2-5(10)3-12-8(6)14-7/h2-3H,4H2,1H3,(H,11,15)(H,12,13,14)
InChIKeyRSVLHTGECAMOCB-UHFFFAOYSA-N
MW285.10 g/mol
LogP1.58
Rot. Bonds2

About (6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)methyl N-methylcarbamate

(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)methyl N-methylcarbamate (PubChem CID 140638351) has the molecular formula C9H9BrN4O2 and a molecular weight of 285.10 g/mol. Its IUPAC name is (6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)methyl N-methylcarbamate.

Molecular Properties

Compound Name(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)methyl N-methylcarbamate
PubChem CID140638351
Molecular FormulaC9H9BrN4O2
Molecular Weight285.10 g/mol
Exact Mass283.99
IUPAC Name(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)methyl N-methylcarbamate
SMILESCNC(=O)OCc1nc2ncc(Br)cc2[nH]1
InChIInChI=1S/C9H9BrN4O2/c1-11-9(15)16-4-7-13-6-2-5(10)3-12-8(6)14-7/h2-3H,4H2,1H3,(H,11,15)(H,12,13,14)
InChIKeyRSVLHTGECAMOCB-UHFFFAOYSA-N
XLogP1.58
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.10
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)methyl 3-methylbutanoate
CID 56805941
(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)methyl 2-(3-bromo-4-methylphenyl)acetate
CID 86804807
ethyl 2-[(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)methylsulfanyl]acetate
CID 56806582
(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)methyl-methylcarbamic acid
CID 68756865
6-bromo-2-(2,2,2-trifluoroethoxymethyl)-1H-imidazo[4,5-b]pyridine
CID 103208843
6-bromo-2-[(4-tert-butylphenoxy)methyl]-1H-imidazo[4,5-b]pyridine
CID 23857021
1-amino-3-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)-2-methylpropan-2-ol
CID 66002551
2-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)-N-ethylethanamine
CID 62328822
6-bromo-2-undecyl-1H-imidazo[4,5-b]pyridine
CID 65426544
N-[(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)methyl]-2-phenylacetamide
CID 563483
6-bromo-2-(2,3,3-trimethylbutyl)-1H-imidazo[4,5-b]pyridine
CID 55260714
ethyl 2-[[2-[(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]acetyl]amino]acetate
CID 665339

Frequently Asked Questions

What is the IUPAC name of (6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)methyl N-methylcarbamate?
The IUPAC name of (6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)methyl N-methylcarbamate (CID 140638351) is (6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)methyl N-methylcarbamate.
What is the SMILES notation for (6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)methyl N-methylcarbamate?
The canonical SMILES for (6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)methyl N-methylcarbamate is CNC(=O)OCc1nc2ncc(Br)cc2[nH]1.
What is the InChIKey of (6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)methyl N-methylcarbamate?
The InChIKey is RSVLHTGECAMOCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrN4O2/c1-11-9(15)16-4-7-13-6-2-5(10)3-12-8(6)14-7/h2-3H,4H2,1H3,(H,11,15)(H,12,13,14).
What are the key properties of (6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)methyl N-methylcarbamate?
(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)methyl N-methylcarbamate has a molecular weight of 285.10 g/mol, XLogP of 1.58, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)methyl N-methylcarbamate is sourced from PubChem (CID 140638351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).