cis-(1R,3S)-3-[(3-fluoro-2-pyridinyl)amino]cyclopentan-1-ol

C10H13FN2O — CID 130735860

IUPACcis-(1R,3S)-3-[(3-fluoro-2-pyridinyl)amino]cyclopentan-1-ol
SMILESO[C@@H]1CC[C@H](Nc2ncccc2F)C1
InChIInChI=1S/C10H13FN2O/c11-9-2-1-5-12-10(9)13-7-3-4-8(14)6-7/h1-2,5,7-8,14H,3-4,6H2,(H,12,13)/t7-,8+/m0/s1
InChIKeyPKLJJPCJNGJBRE-JGVFFNPUSA-N
MW196.22 g/mol
LogP1.55
Rot. Bonds2

About cis-(1R,3S)-3-[(3-fluoro-2-pyridinyl)amino]cyclopentan-1-ol

cis-(1R,3S)-3-[(3-fluoro-2-pyridinyl)amino]cyclopentan-1-ol (PubChem CID 130735860) has the molecular formula C10H13FN2O and a molecular weight of 196.22 g/mol. Its IUPAC name is cis-(1R,3S)-3-[(3-fluoro-2-pyridinyl)amino]cyclopentan-1-ol.

Molecular Properties

Compound Namecis-(1R,3S)-3-[(3-fluoro-2-pyridinyl)amino]cyclopentan-1-ol
PubChem CID130735860
Molecular FormulaC10H13FN2O
Molecular Weight196.22 g/mol
Exact Mass196.10
IUPAC Namecis-(1R,3S)-3-[(3-fluoro-2-pyridinyl)amino]cyclopentan-1-ol
SMILESO[C@@H]1CC[C@H](Nc2ncccc2F)C1
InChIInChI=1S/C10H13FN2O/c11-9-2-1-5-12-10(9)13-7-3-4-8(14)6-7/h1-2,5,7-8,14H,3-4,6H2,(H,12,13)/t7-,8+/m0/s1
InChIKeyPKLJJPCJNGJBRE-JGVFFNPUSA-N
XLogP1.55
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.22
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of cis-(1R,3S)-3-[(3-fluoro-2-pyridinyl)amino]cyclopentan-1-ol?
The IUPAC name of cis-(1R,3S)-3-[(3-fluoro-2-pyridinyl)amino]cyclopentan-1-ol (CID 130735860) is cis-(1R,3S)-3-[(3-fluoro-2-pyridinyl)amino]cyclopentan-1-ol.
What is the SMILES notation for cis-(1R,3S)-3-[(3-fluoro-2-pyridinyl)amino]cyclopentan-1-ol?
The canonical SMILES for cis-(1R,3S)-3-[(3-fluoro-2-pyridinyl)amino]cyclopentan-1-ol is O[C@@H]1CC[C@H](Nc2ncccc2F)C1.
What is the InChIKey of cis-(1R,3S)-3-[(3-fluoro-2-pyridinyl)amino]cyclopentan-1-ol?
The InChIKey is PKLJJPCJNGJBRE-JGVFFNPUSA-N. The full InChI is InChI=1S/C10H13FN2O/c11-9-2-1-5-12-10(9)13-7-3-4-8(14)6-7/h1-2,5,7-8,14H,3-4,6H2,(H,12,13)/t7-,8+/m0/s1.
What are the key properties of cis-(1R,3S)-3-[(3-fluoro-2-pyridinyl)amino]cyclopentan-1-ol?
cis-(1R,3S)-3-[(3-fluoro-2-pyridinyl)amino]cyclopentan-1-ol has a molecular weight of 196.22 g/mol, XLogP of 1.55, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,3S)-3-[(3-fluoro-2-pyridinyl)amino]cyclopentan-1-ol is sourced from PubChem (CID 130735860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).