5-chloro-6-[(3-methoxypyrrolidin-1-yl)methyl]pyridin-2-amine

C11H16ClN3O — CID 103538581

IUPAC5-chloro-6-[(3-methoxypyrrolidin-1-yl)methyl]pyridin-2-amine
SMILESCOC1CCN(Cc2nc(N)ccc2Cl)C1
InChIInChI=1S/C11H16ClN3O/c1-16-8-4-5-15(6-8)7-10-9(12)2-3-11(13)14-10/h2-3,8H,4-7H2,1H3,(H2,13,14)
InChIKeyVTBNEXRPCYMEBK-UHFFFAOYSA-N
MW241.72 g/mol
LogP1.54
Rot. Bonds3

About 5-chloro-6-[(3-methoxypyrrolidin-1-yl)methyl]pyridin-2-amine

5-chloro-6-[(3-methoxypyrrolidin-1-yl)methyl]pyridin-2-amine (PubChem CID 103538581) has the molecular formula C11H16ClN3O and a molecular weight of 241.72 g/mol. Its IUPAC name is 5-chloro-6-[(3-methoxypyrrolidin-1-yl)methyl]pyridin-2-amine.

Molecular Properties

Compound Name5-chloro-6-[(3-methoxypyrrolidin-1-yl)methyl]pyridin-2-amine
PubChem CID103538581
Molecular FormulaC11H16ClN3O
Molecular Weight241.72 g/mol
Exact Mass241.10
IUPAC Name5-chloro-6-[(3-methoxypyrrolidin-1-yl)methyl]pyridin-2-amine
SMILESCOC1CCN(Cc2nc(N)ccc2Cl)C1
InChIInChI=1S/C11H16ClN3O/c1-16-8-4-5-15(6-8)7-10-9(12)2-3-11(13)14-10/h2-3,8H,4-7H2,1H3,(H2,13,14)
InChIKeyVTBNEXRPCYMEBK-UHFFFAOYSA-N
XLogP1.54
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.72
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-[(3-methoxypyrrolidin-1-yl)methyl]pyridin-2-amine?
The IUPAC name of 5-chloro-6-[(3-methoxypyrrolidin-1-yl)methyl]pyridin-2-amine (CID 103538581) is 5-chloro-6-[(3-methoxypyrrolidin-1-yl)methyl]pyridin-2-amine.
What is the SMILES notation for 5-chloro-6-[(3-methoxypyrrolidin-1-yl)methyl]pyridin-2-amine?
The canonical SMILES for 5-chloro-6-[(3-methoxypyrrolidin-1-yl)methyl]pyridin-2-amine is COC1CCN(Cc2nc(N)ccc2Cl)C1.
What is the InChIKey of 5-chloro-6-[(3-methoxypyrrolidin-1-yl)methyl]pyridin-2-amine?
The InChIKey is VTBNEXRPCYMEBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClN3O/c1-16-8-4-5-15(6-8)7-10-9(12)2-3-11(13)14-10/h2-3,8H,4-7H2,1H3,(H2,13,14).
What are the key properties of 5-chloro-6-[(3-methoxypyrrolidin-1-yl)methyl]pyridin-2-amine?
5-chloro-6-[(3-methoxypyrrolidin-1-yl)methyl]pyridin-2-amine has a molecular weight of 241.72 g/mol, XLogP of 1.54, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-[(3-methoxypyrrolidin-1-yl)methyl]pyridin-2-amine is sourced from PubChem (CID 103538581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).