1-(5-chloro-3-fluoro-2-pyridinyl)-3-methylpyrrolidin-3-ol

C10H12ClFN2O — CID 103738622

IUPAC1-(5-chloro-3-fluoro-2-pyridinyl)-3-methylpyrrolidin-3-ol
SMILESCC1(O)CCN(c2ncc(Cl)cc2F)C1
InChIInChI=1S/C10H12ClFN2O/c1-10(15)2-3-14(6-10)9-8(12)4-7(11)5-13-9/h4-5,15H,2-3,6H2,1H3
InChIKeyKSRQHDPAFGNXLK-UHFFFAOYSA-N
MW230.67 g/mol
LogP1.84
Rot. Bonds1

About 1-(5-chloro-3-fluoro-2-pyridinyl)-3-methylpyrrolidin-3-ol

1-(5-chloro-3-fluoro-2-pyridinyl)-3-methylpyrrolidin-3-ol (PubChem CID 103738622) has the molecular formula C10H12ClFN2O and a molecular weight of 230.67 g/mol. Its IUPAC name is 1-(5-chloro-3-fluoro-2-pyridinyl)-3-methylpyrrolidin-3-ol.

Molecular Properties

Compound Name1-(5-chloro-3-fluoro-2-pyridinyl)-3-methylpyrrolidin-3-ol
PubChem CID103738622
Molecular FormulaC10H12ClFN2O
Molecular Weight230.67 g/mol
Exact Mass230.06
IUPAC Name1-(5-chloro-3-fluoro-2-pyridinyl)-3-methylpyrrolidin-3-ol
SMILESCC1(O)CCN(c2ncc(Cl)cc2F)C1
InChIInChI=1S/C10H12ClFN2O/c1-10(15)2-3-14(6-10)9-8(12)4-7(11)5-13-9/h4-5,15H,2-3,6H2,1H3
InChIKeyKSRQHDPAFGNXLK-UHFFFAOYSA-N
XLogP1.84
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.67
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-3-fluoro-2-pyridinyl)-3-methylpyrrolidin-3-ol?
The IUPAC name of 1-(5-chloro-3-fluoro-2-pyridinyl)-3-methylpyrrolidin-3-ol (CID 103738622) is 1-(5-chloro-3-fluoro-2-pyridinyl)-3-methylpyrrolidin-3-ol.
What is the SMILES notation for 1-(5-chloro-3-fluoro-2-pyridinyl)-3-methylpyrrolidin-3-ol?
The canonical SMILES for 1-(5-chloro-3-fluoro-2-pyridinyl)-3-methylpyrrolidin-3-ol is CC1(O)CCN(c2ncc(Cl)cc2F)C1.
What is the InChIKey of 1-(5-chloro-3-fluoro-2-pyridinyl)-3-methylpyrrolidin-3-ol?
The InChIKey is KSRQHDPAFGNXLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClFN2O/c1-10(15)2-3-14(6-10)9-8(12)4-7(11)5-13-9/h4-5,15H,2-3,6H2,1H3.
What are the key properties of 1-(5-chloro-3-fluoro-2-pyridinyl)-3-methylpyrrolidin-3-ol?
1-(5-chloro-3-fluoro-2-pyridinyl)-3-methylpyrrolidin-3-ol has a molecular weight of 230.67 g/mol, XLogP of 1.84, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-3-fluoro-2-pyridinyl)-3-methylpyrrolidin-3-ol is sourced from PubChem (CID 103738622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).