1-(3-chloro-2-pyridinyl)pyrrolidin-3-amine

C9H12ClN3 — CID 23369525

IUPAC1-(3-chloro-2-pyridinyl)pyrrolidin-3-amine
SMILESNC1CCN(c2ncccc2Cl)C1
InChIInChI=1S/C9H12ClN3/c10-8-2-1-4-12-9(8)13-5-3-7(11)6-13/h1-2,4,7H,3,5-6,11H2
InChIKeyZWHDLUCBDCSQQN-UHFFFAOYSA-N
MW197.67 g/mol
LogP1.27
Rot. Bonds1

About 1-(3-chloro-2-pyridinyl)pyrrolidin-3-amine

1-(3-chloro-2-pyridinyl)pyrrolidin-3-amine (PubChem CID 23369525) has the molecular formula C9H12ClN3 and a molecular weight of 197.67 g/mol. Its IUPAC name is 1-(3-chloro-2-pyridinyl)pyrrolidin-3-amine.

Molecular Properties

Compound Name1-(3-chloro-2-pyridinyl)pyrrolidin-3-amine
PubChem CID23369525
Molecular FormulaC9H12ClN3
Molecular Weight197.67 g/mol
Exact Mass197.07
IUPAC Name1-(3-chloro-2-pyridinyl)pyrrolidin-3-amine
SMILESNC1CCN(c2ncccc2Cl)C1
InChIInChI=1S/C9H12ClN3/c10-8-2-1-4-12-9(8)13-5-3-7(11)6-13/h1-2,4,7H,3,5-6,11H2
InChIKeyZWHDLUCBDCSQQN-UHFFFAOYSA-N
XLogP1.27
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.67
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-2-pyridinyl)pyrrolidin-3-amine?
The IUPAC name of 1-(3-chloro-2-pyridinyl)pyrrolidin-3-amine (CID 23369525) is 1-(3-chloro-2-pyridinyl)pyrrolidin-3-amine.
What is the SMILES notation for 1-(3-chloro-2-pyridinyl)pyrrolidin-3-amine?
The canonical SMILES for 1-(3-chloro-2-pyridinyl)pyrrolidin-3-amine is NC1CCN(c2ncccc2Cl)C1.
What is the InChIKey of 1-(3-chloro-2-pyridinyl)pyrrolidin-3-amine?
The InChIKey is ZWHDLUCBDCSQQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClN3/c10-8-2-1-4-12-9(8)13-5-3-7(11)6-13/h1-2,4,7H,3,5-6,11H2.
What are the key properties of 1-(3-chloro-2-pyridinyl)pyrrolidin-3-amine?
1-(3-chloro-2-pyridinyl)pyrrolidin-3-amine has a molecular weight of 197.67 g/mol, XLogP of 1.27, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-2-pyridinyl)pyrrolidin-3-amine is sourced from PubChem (CID 23369525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).