1-(2-chloro-4-pyridinyl)-4-ethylpyrrolidin-3-ol

C11H15ClN2O — CID 130874690

IUPAC1-(2-chloro-4-pyridinyl)-4-ethylpyrrolidin-3-ol
SMILESCCC1CN(c2ccnc(Cl)c2)CC1O
InChIInChI=1S/C11H15ClN2O/c1-2-8-6-14(7-10(8)15)9-3-4-13-11(12)5-9/h3-5,8,10,15H,2,6-7H2,1H3
InChIKeySUOVFAVRXJGCIG-UHFFFAOYSA-N
MW226.71 g/mol
LogP1.94
Rot. Bonds2

About 1-(2-chloro-4-pyridinyl)-4-ethylpyrrolidin-3-ol

1-(2-chloro-4-pyridinyl)-4-ethylpyrrolidin-3-ol (PubChem CID 130874690) has the molecular formula C11H15ClN2O and a molecular weight of 226.71 g/mol. Its IUPAC name is 1-(2-chloro-4-pyridinyl)-4-ethylpyrrolidin-3-ol.

Molecular Properties

Compound Name1-(2-chloro-4-pyridinyl)-4-ethylpyrrolidin-3-ol
PubChem CID130874690
Molecular FormulaC11H15ClN2O
Molecular Weight226.71 g/mol
Exact Mass226.09
IUPAC Name1-(2-chloro-4-pyridinyl)-4-ethylpyrrolidin-3-ol
SMILESCCC1CN(c2ccnc(Cl)c2)CC1O
InChIInChI=1S/C11H15ClN2O/c1-2-8-6-14(7-10(8)15)9-3-4-13-11(12)5-9/h3-5,8,10,15H,2,6-7H2,1H3
InChIKeySUOVFAVRXJGCIG-UHFFFAOYSA-N
XLogP1.94
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.71
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

1-(2-chloro-4-pyridinyl)pyrrolidine-3,4-diol
CID 106670872
4-ethyl-1-(2-fluoro-4-pyridinyl)pyrrolidin-3-ol
CID 130943521
1-(2-chloropyrimidin-4-yl)-4-ethylpyrrolidin-3-ol
CID 131003157
1-(2-chloro-4-pyridinyl)-N,N-diethylpyrrolidin-3-amine
CID 103757127
2-chloro-4-[3-(methoxymethyl)pyrrolidin-1-yl]pyridine
CID 103757063
(3R)-1-(2-chloro-4-pyridinyl)pyrrolidine-3-carboxylic acid
CID 129353758
4-(2-chloro-4-pyridinyl)-1-(2-ethoxyethyl)-2-ethylpiperazine
CID 133379044
1-[2-(aminomethyl)-4-pyridinyl]pyrrolidine-3,4-diol
CID 106667686
2-chloro-4-(4-ethyl-4-methylpiperidin-1-yl)pyridine
CID 103756719
2-chloro-4-(3,4-dimethylpiperidin-1-yl)pyridine
CID 103878204
1-(2-chloro-4-pyridinyl)-3-(methoxymethyl)azetidin-3-ol
CID 130877863
1-[2-(methylamino)-4-pyridinyl]pyrrolidine-3,4-diol
CID 106674497

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-4-pyridinyl)-4-ethylpyrrolidin-3-ol?
The IUPAC name of 1-(2-chloro-4-pyridinyl)-4-ethylpyrrolidin-3-ol (CID 130874690) is 1-(2-chloro-4-pyridinyl)-4-ethylpyrrolidin-3-ol.
What is the SMILES notation for 1-(2-chloro-4-pyridinyl)-4-ethylpyrrolidin-3-ol?
The canonical SMILES for 1-(2-chloro-4-pyridinyl)-4-ethylpyrrolidin-3-ol is CCC1CN(c2ccnc(Cl)c2)CC1O.
What is the InChIKey of 1-(2-chloro-4-pyridinyl)-4-ethylpyrrolidin-3-ol?
The InChIKey is SUOVFAVRXJGCIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2O/c1-2-8-6-14(7-10(8)15)9-3-4-13-11(12)5-9/h3-5,8,10,15H,2,6-7H2,1H3.
What are the key properties of 1-(2-chloro-4-pyridinyl)-4-ethylpyrrolidin-3-ol?
1-(2-chloro-4-pyridinyl)-4-ethylpyrrolidin-3-ol has a molecular weight of 226.71 g/mol, XLogP of 1.94, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-4-pyridinyl)-4-ethylpyrrolidin-3-ol is sourced from PubChem (CID 130874690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).