(4-chloro-2-pyridinyl)-pyrrolidin-1-ylmethanone

C10H11ClN2O — CID 10679992

IUPAC(4-chloro-2-pyridinyl)-pyrrolidin-1-ylmethanone
SMILESO=C(c1cc(Cl)ccn1)N1CCCC1
InChIInChI=1S/C10H11ClN2O/c11-8-3-4-12-9(7-8)10(14)13-5-1-2-6-13/h3-4,7H,1-2,5-6H2
InChIKeyOAQAEXHBHMLOIN-UHFFFAOYSA-N
MW210.66 g/mol
LogP1.97
Rot. Bonds1

About (4-chloro-2-pyridinyl)-pyrrolidin-1-ylmethanone

(4-chloro-2-pyridinyl)-pyrrolidin-1-ylmethanone (PubChem CID 10679992) has the molecular formula C10H11ClN2O and a molecular weight of 210.66 g/mol. Its IUPAC name is (4-chloro-2-pyridinyl)-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name(4-chloro-2-pyridinyl)-pyrrolidin-1-ylmethanone
PubChem CID10679992
Molecular FormulaC10H11ClN2O
Molecular Weight210.66 g/mol
Exact Mass210.06
IUPAC Name(4-chloro-2-pyridinyl)-pyrrolidin-1-ylmethanone
SMILESO=C(c1cc(Cl)ccn1)N1CCCC1
InChIInChI=1S/C10H11ClN2O/c11-8-3-4-12-9(7-8)10(14)13-5-1-2-6-13/h3-4,7H,1-2,5-6H2
InChIKeyOAQAEXHBHMLOIN-UHFFFAOYSA-N
XLogP1.97
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.66
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4-chloro-2-pyridinyl)-pyrrolidin-1-ylmethanone?
The IUPAC name of (4-chloro-2-pyridinyl)-pyrrolidin-1-ylmethanone (CID 10679992) is (4-chloro-2-pyridinyl)-pyrrolidin-1-ylmethanone.
What is the SMILES notation for (4-chloro-2-pyridinyl)-pyrrolidin-1-ylmethanone?
The canonical SMILES for (4-chloro-2-pyridinyl)-pyrrolidin-1-ylmethanone is O=C(c1cc(Cl)ccn1)N1CCCC1.
What is the InChIKey of (4-chloro-2-pyridinyl)-pyrrolidin-1-ylmethanone?
The InChIKey is OAQAEXHBHMLOIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN2O/c11-8-3-4-12-9(7-8)10(14)13-5-1-2-6-13/h3-4,7H,1-2,5-6H2.
What are the key properties of (4-chloro-2-pyridinyl)-pyrrolidin-1-ylmethanone?
(4-chloro-2-pyridinyl)-pyrrolidin-1-ylmethanone has a molecular weight of 210.66 g/mol, XLogP of 1.97, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-2-pyridinyl)-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 10679992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).