[1-[(5-chloro-3-fluoro-2-pyridinyl)amino]cyclopentyl]methanol

C11H14ClFN2O — CID 79728243

IUPAC[1-[(5-chloro-3-fluoro-2-pyridinyl)amino]cyclopentyl]methanol
SMILESOCC1(Nc2ncc(Cl)cc2F)CCCC1
InChIInChI=1S/C11H14ClFN2O/c12-8-5-9(13)10(14-6-8)15-11(7-16)3-1-2-4-11/h5-6,16H,1-4,7H2,(H,14,15)
InChIKeyPOMPBZSWBDTEAB-UHFFFAOYSA-N
MW244.70 g/mol
LogP2.59
Rot. Bonds3

About [1-[(5-chloro-3-fluoro-2-pyridinyl)amino]cyclopentyl]methanol

[1-[(5-chloro-3-fluoro-2-pyridinyl)amino]cyclopentyl]methanol (PubChem CID 79728243) has the molecular formula C11H14ClFN2O and a molecular weight of 244.70 g/mol. Its IUPAC name is [1-[(5-chloro-3-fluoro-2-pyridinyl)amino]cyclopentyl]methanol.

Molecular Properties

Compound Name[1-[(5-chloro-3-fluoro-2-pyridinyl)amino]cyclopentyl]methanol
PubChem CID79728243
Molecular FormulaC11H14ClFN2O
Molecular Weight244.70 g/mol
Exact Mass244.08
IUPAC Name[1-[(5-chloro-3-fluoro-2-pyridinyl)amino]cyclopentyl]methanol
SMILESOCC1(Nc2ncc(Cl)cc2F)CCCC1
InChIInChI=1S/C11H14ClFN2O/c12-8-5-9(13)10(14-6-8)15-11(7-16)3-1-2-4-11/h5-6,16H,1-4,7H2,(H,14,15)
InChIKeyPOMPBZSWBDTEAB-UHFFFAOYSA-N
XLogP2.59
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.70
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-[(5-chloro-3-fluoro-2-pyridinyl)amino]cyclopentyl]methanol?
The IUPAC name of [1-[(5-chloro-3-fluoro-2-pyridinyl)amino]cyclopentyl]methanol (CID 79728243) is [1-[(5-chloro-3-fluoro-2-pyridinyl)amino]cyclopentyl]methanol.
What is the SMILES notation for [1-[(5-chloro-3-fluoro-2-pyridinyl)amino]cyclopentyl]methanol?
The canonical SMILES for [1-[(5-chloro-3-fluoro-2-pyridinyl)amino]cyclopentyl]methanol is OCC1(Nc2ncc(Cl)cc2F)CCCC1.
What is the InChIKey of [1-[(5-chloro-3-fluoro-2-pyridinyl)amino]cyclopentyl]methanol?
The InChIKey is POMPBZSWBDTEAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClFN2O/c12-8-5-9(13)10(14-6-8)15-11(7-16)3-1-2-4-11/h5-6,16H,1-4,7H2,(H,14,15).
What are the key properties of [1-[(5-chloro-3-fluoro-2-pyridinyl)amino]cyclopentyl]methanol?
[1-[(5-chloro-3-fluoro-2-pyridinyl)amino]cyclopentyl]methanol has a molecular weight of 244.70 g/mol, XLogP of 2.59, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(5-chloro-3-fluoro-2-pyridinyl)amino]cyclopentyl]methanol is sourced from PubChem (CID 79728243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).