1-[2-(3-chloro-4-fluorophenoxy)imidazo[1,2-a]pyridin-3-yl]-N-methylmethanamine

C15H13ClFN3O — CID 63879179

IUPAC1-[2-(3-chloro-4-fluorophenoxy)imidazo[1,2-a]pyridin-3-yl]-N-methylmethanamine
SMILESCNCc1c(Oc2ccc(F)c(Cl)c2)nc2ccccn12
InChIInChI=1S/C15H13ClFN3O/c1-18-9-13-15(19-14-4-2-3-7-20(13)14)21-10-5-6-12(17)11(16)8-10/h2-8,18H,9H2,1H3
InChIKeyRIVGLQQISPDVRC-UHFFFAOYSA-N
MW305.74 g/mol
LogP3.64
Rot. Bonds4

About 1-[2-(3-chloro-4-fluorophenoxy)imidazo[1,2-a]pyridin-3-yl]-N-methylmethanamine

1-[2-(3-chloro-4-fluorophenoxy)imidazo[1,2-a]pyridin-3-yl]-N-methylmethanamine (PubChem CID 63879179) has the molecular formula C15H13ClFN3O and a molecular weight of 305.74 g/mol. Its IUPAC name is 1-[2-(3-chloro-4-fluorophenoxy)imidazo[1,2-a]pyridin-3-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[2-(3-chloro-4-fluorophenoxy)imidazo[1,2-a]pyridin-3-yl]-N-methylmethanamine
PubChem CID63879179
Molecular FormulaC15H13ClFN3O
Molecular Weight305.74 g/mol
Exact Mass305.07
IUPAC Name1-[2-(3-chloro-4-fluorophenoxy)imidazo[1,2-a]pyridin-3-yl]-N-methylmethanamine
SMILESCNCc1c(Oc2ccc(F)c(Cl)c2)nc2ccccn12
InChIInChI=1S/C15H13ClFN3O/c1-18-9-13-15(19-14-4-2-3-7-20(13)14)21-10-5-6-12(17)11(16)8-10/h2-8,18H,9H2,1H3
InChIKeyRIVGLQQISPDVRC-UHFFFAOYSA-N
XLogP3.64
TPSA38.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.74
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-chloro-4-fluorophenoxy)imidazo[1,2-a]pyridin-3-yl]-N-methylmethanamine?
The IUPAC name of 1-[2-(3-chloro-4-fluorophenoxy)imidazo[1,2-a]pyridin-3-yl]-N-methylmethanamine (CID 63879179) is 1-[2-(3-chloro-4-fluorophenoxy)imidazo[1,2-a]pyridin-3-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[2-(3-chloro-4-fluorophenoxy)imidazo[1,2-a]pyridin-3-yl]-N-methylmethanamine?
The canonical SMILES for 1-[2-(3-chloro-4-fluorophenoxy)imidazo[1,2-a]pyridin-3-yl]-N-methylmethanamine is CNCc1c(Oc2ccc(F)c(Cl)c2)nc2ccccn12.
What is the InChIKey of 1-[2-(3-chloro-4-fluorophenoxy)imidazo[1,2-a]pyridin-3-yl]-N-methylmethanamine?
The InChIKey is RIVGLQQISPDVRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClFN3O/c1-18-9-13-15(19-14-4-2-3-7-20(13)14)21-10-5-6-12(17)11(16)8-10/h2-8,18H,9H2,1H3.
What are the key properties of 1-[2-(3-chloro-4-fluorophenoxy)imidazo[1,2-a]pyridin-3-yl]-N-methylmethanamine?
1-[2-(3-chloro-4-fluorophenoxy)imidazo[1,2-a]pyridin-3-yl]-N-methylmethanamine has a molecular weight of 305.74 g/mol, XLogP of 3.64, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-chloro-4-fluorophenoxy)imidazo[1,2-a]pyridin-3-yl]-N-methylmethanamine is sourced from PubChem (CID 63879179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).