6-chloro-2-(chloromethyl)-N,N-dimethylimidazo[4,5-b]pyridin-3-amine

C9H10Cl2N4 — CID 83018919

IUPAC6-chloro-2-(chloromethyl)-N,N-dimethylimidazo[4,5-b]pyridin-3-amine
SMILESCN(C)n1c(CCl)nc2cc(Cl)cnc21
InChIInChI=1S/C9H10Cl2N4/c1-14(2)15-8(4-10)13-7-3-6(11)5-12-9(7)15/h3,5H,4H2,1-2H3
InChIKeyKAIGHGUMJBUZBR-UHFFFAOYSA-N
MW245.11 g/mol
LogP2.02
Rot. Bonds2

About 6-chloro-2-(chloromethyl)-N,N-dimethylimidazo[4,5-b]pyridin-3-amine

6-chloro-2-(chloromethyl)-N,N-dimethylimidazo[4,5-b]pyridin-3-amine (PubChem CID 83018919) has the molecular formula C9H10Cl2N4 and a molecular weight of 245.11 g/mol. Its IUPAC name is 6-chloro-2-(chloromethyl)-N,N-dimethylimidazo[4,5-b]pyridin-3-amine.

Molecular Properties

Compound Name6-chloro-2-(chloromethyl)-N,N-dimethylimidazo[4,5-b]pyridin-3-amine
PubChem CID83018919
Molecular FormulaC9H10Cl2N4
Molecular Weight245.11 g/mol
Exact Mass244.03
IUPAC Name6-chloro-2-(chloromethyl)-N,N-dimethylimidazo[4,5-b]pyridin-3-amine
SMILESCN(C)n1c(CCl)nc2cc(Cl)cnc21
InChIInChI=1S/C9H10Cl2N4/c1-14(2)15-8(4-10)13-7-3-6(11)5-12-9(7)15/h3,5H,4H2,1-2H3
InChIKeyKAIGHGUMJBUZBR-UHFFFAOYSA-N
XLogP2.02
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.11
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-chloro-3-(2-chloro-5-fluorophenyl)-2-(chloromethyl)imidazo[4,5-b]pyridine
CID 107529612
3-[2-[6-chloro-2-(chloromethyl)imidazo[4,5-b]pyridin-3-yl]ethyl]-1,1-dimethylurea
CID 83115515
3-(3-bromo-2-methylphenyl)-6-chloro-2-(chloromethyl)imidazo[4,5-b]pyridine
CID 107637697
3-(4-bromo-2,3-dichlorophenyl)-6-chloro-2-(chloromethyl)imidazo[4,5-b]pyridine
CID 107791834
6-chloro-2-(chloromethyl)-3-[1-(trifluoromethyl)cyclopropyl]imidazo[4,5-b]pyridine
CID 114159541
6-chloro-3-methyl-2-(2-methylpropyl)imidazo[4,5-b]pyridine
CID 84688903
6-chloro-2-(chloromethyl)-3-(3-methoxycyclopentyl)imidazo[4,5-b]pyridine
CID 114118197
5-[[6-chloro-2-(chloromethyl)imidazo[4,5-b]pyridin-3-yl]methyl]-1,2-oxazole
CID 106420533
6-chloro-2-(chloromethyl)-3-[2-(triazol-1-yl)ethyl]imidazo[4,5-b]pyridine
CID 113413048
3-bromo-4-[6-chloro-2-(chloromethyl)imidazo[4,5-b]pyridin-3-yl]benzonitrile
CID 107791865
3-[6-chloro-2-(2-chloroethyl)imidazo[4,5-b]pyridin-3-yl]-3-methylbutanamide
CID 106097670
2-(chloromethyl)-3-(4-chlorophenyl)-6-methylimidazo[4,5-b]pyridine
CID 79300713

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-(chloromethyl)-N,N-dimethylimidazo[4,5-b]pyridin-3-amine?
The IUPAC name of 6-chloro-2-(chloromethyl)-N,N-dimethylimidazo[4,5-b]pyridin-3-amine (CID 83018919) is 6-chloro-2-(chloromethyl)-N,N-dimethylimidazo[4,5-b]pyridin-3-amine.
What is the SMILES notation for 6-chloro-2-(chloromethyl)-N,N-dimethylimidazo[4,5-b]pyridin-3-amine?
The canonical SMILES for 6-chloro-2-(chloromethyl)-N,N-dimethylimidazo[4,5-b]pyridin-3-amine is CN(C)n1c(CCl)nc2cc(Cl)cnc21.
What is the InChIKey of 6-chloro-2-(chloromethyl)-N,N-dimethylimidazo[4,5-b]pyridin-3-amine?
The InChIKey is KAIGHGUMJBUZBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10Cl2N4/c1-14(2)15-8(4-10)13-7-3-6(11)5-12-9(7)15/h3,5H,4H2,1-2H3.
What are the key properties of 6-chloro-2-(chloromethyl)-N,N-dimethylimidazo[4,5-b]pyridin-3-amine?
6-chloro-2-(chloromethyl)-N,N-dimethylimidazo[4,5-b]pyridin-3-amine has a molecular weight of 245.11 g/mol, XLogP of 2.02, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-(chloromethyl)-N,N-dimethylimidazo[4,5-b]pyridin-3-amine is sourced from PubChem (CID 83018919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).