[1-(5-chloro-3-fluoro-2-pyridinyl)pyrrolidin-2-yl]methanol

C10H12ClFN2O — CID 79727661

IUPAC[1-(5-chloro-3-fluoro-2-pyridinyl)pyrrolidin-2-yl]methanol
SMILESOCC1CCCN1c1ncc(Cl)cc1F
InChIInChI=1S/C10H12ClFN2O/c11-7-4-9(12)10(13-5-7)14-3-1-2-8(14)6-15/h4-5,8,15H,1-3,6H2
InChIKeyZKLCQIIRXKAMIJ-UHFFFAOYSA-N
MW230.67 g/mol
LogP1.84
Rot. Bonds2

About [1-(5-chloro-3-fluoro-2-pyridinyl)pyrrolidin-2-yl]methanol

[1-(5-chloro-3-fluoro-2-pyridinyl)pyrrolidin-2-yl]methanol (PubChem CID 79727661) 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)pyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[1-(5-chloro-3-fluoro-2-pyridinyl)pyrrolidin-2-yl]methanol
PubChem CID79727661
Molecular FormulaC10H12ClFN2O
Molecular Weight230.67 g/mol
Exact Mass230.06
IUPAC Name[1-(5-chloro-3-fluoro-2-pyridinyl)pyrrolidin-2-yl]methanol
SMILESOCC1CCCN1c1ncc(Cl)cc1F
InChIInChI=1S/C10H12ClFN2O/c11-7-4-9(12)10(13-5-7)14-3-1-2-8(14)6-15/h4-5,8,15H,1-3,6H2
InChIKeyZKLCQIIRXKAMIJ-UHFFFAOYSA-N
XLogP1.84
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
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)pyrrolidin-2-yl]methanol?
The IUPAC name of [1-(5-chloro-3-fluoro-2-pyridinyl)pyrrolidin-2-yl]methanol (CID 79727661) is [1-(5-chloro-3-fluoro-2-pyridinyl)pyrrolidin-2-yl]methanol.
What is the SMILES notation for [1-(5-chloro-3-fluoro-2-pyridinyl)pyrrolidin-2-yl]methanol?
The canonical SMILES for [1-(5-chloro-3-fluoro-2-pyridinyl)pyrrolidin-2-yl]methanol is OCC1CCCN1c1ncc(Cl)cc1F.
What is the InChIKey of [1-(5-chloro-3-fluoro-2-pyridinyl)pyrrolidin-2-yl]methanol?
The InChIKey is ZKLCQIIRXKAMIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClFN2O/c11-7-4-9(12)10(13-5-7)14-3-1-2-8(14)6-15/h4-5,8,15H,1-3,6H2.
What are the key properties of [1-(5-chloro-3-fluoro-2-pyridinyl)pyrrolidin-2-yl]methanol?
[1-(5-chloro-3-fluoro-2-pyridinyl)pyrrolidin-2-yl]methanol has a molecular weight of 230.67 g/mol, XLogP of 1.84, 2 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)pyrrolidin-2-yl]methanol is sourced from PubChem (CID 79727661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).