3,5-dichloro-N-(1-methylpyrrolidin-3-yl)pyridin-2-amine

C10H13Cl2N3 — CID 61465020

IUPAC3,5-dichloro-N-(1-methylpyrrolidin-3-yl)pyridin-2-amine
SMILESCN1CCC(Nc2ncc(Cl)cc2Cl)C1
InChIInChI=1S/C10H13Cl2N3/c1-15-3-2-8(6-15)14-10-9(12)4-7(11)5-13-10/h4-5,8H,2-3,6H2,1H3,(H,13,14)
InChIKeySOVLOUHMHRHIEV-UHFFFAOYSA-N
MW246.14 g/mol
LogP2.50
Rot. Bonds2

About 3,5-dichloro-N-(1-methylpyrrolidin-3-yl)pyridin-2-amine

3,5-dichloro-N-(1-methylpyrrolidin-3-yl)pyridin-2-amine (PubChem CID 61465020) has the molecular formula C10H13Cl2N3 and a molecular weight of 246.14 g/mol. Its IUPAC name is 3,5-dichloro-N-(1-methylpyrrolidin-3-yl)pyridin-2-amine.

Molecular Properties

Compound Name3,5-dichloro-N-(1-methylpyrrolidin-3-yl)pyridin-2-amine
PubChem CID61465020
Molecular FormulaC10H13Cl2N3
Molecular Weight246.14 g/mol
Exact Mass245.05
IUPAC Name3,5-dichloro-N-(1-methylpyrrolidin-3-yl)pyridin-2-amine
SMILESCN1CCC(Nc2ncc(Cl)cc2Cl)C1
InChIInChI=1S/C10H13Cl2N3/c1-15-3-2-8(6-15)14-10-9(12)4-7(11)5-13-10/h4-5,8H,2-3,6H2,1H3,(H,13,14)
InChIKeySOVLOUHMHRHIEV-UHFFFAOYSA-N
XLogP2.50
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.14
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-N-(1-methylpyrrolidin-3-yl)pyridin-2-amine?
The IUPAC name of 3,5-dichloro-N-(1-methylpyrrolidin-3-yl)pyridin-2-amine (CID 61465020) is 3,5-dichloro-N-(1-methylpyrrolidin-3-yl)pyridin-2-amine.
What is the SMILES notation for 3,5-dichloro-N-(1-methylpyrrolidin-3-yl)pyridin-2-amine?
The canonical SMILES for 3,5-dichloro-N-(1-methylpyrrolidin-3-yl)pyridin-2-amine is CN1CCC(Nc2ncc(Cl)cc2Cl)C1.
What is the InChIKey of 3,5-dichloro-N-(1-methylpyrrolidin-3-yl)pyridin-2-amine?
The InChIKey is SOVLOUHMHRHIEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13Cl2N3/c1-15-3-2-8(6-15)14-10-9(12)4-7(11)5-13-10/h4-5,8H,2-3,6H2,1H3,(H,13,14).
What are the key properties of 3,5-dichloro-N-(1-methylpyrrolidin-3-yl)pyridin-2-amine?
3,5-dichloro-N-(1-methylpyrrolidin-3-yl)pyridin-2-amine has a molecular weight of 246.14 g/mol, XLogP of 2.50, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-N-(1-methylpyrrolidin-3-yl)pyridin-2-amine is sourced from PubChem (CID 61465020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).