[4-(2-fluoro-3-pyridinyl)pyrrolidin-3-yl]methanethiol

C10H13FN2S — CID 131124086

IUPAC[4-(2-fluoro-3-pyridinyl)pyrrolidin-3-yl]methanethiol
SMILESFc1ncccc1C1CNCC1CS
InChIInChI=1S/C10H13FN2S/c11-10-8(2-1-3-13-10)9-5-12-4-7(9)6-14/h1-3,7,9,12,14H,4-6H2
InChIKeyQOVHNMMNVVYMSS-UHFFFAOYSA-N
MW212.29 g/mol
LogP1.45
Rot. Bonds2

About [4-(2-fluoro-3-pyridinyl)pyrrolidin-3-yl]methanethiol

[4-(2-fluoro-3-pyridinyl)pyrrolidin-3-yl]methanethiol (PubChem CID 131124086) has the molecular formula C10H13FN2S and a molecular weight of 212.29 g/mol. Its IUPAC name is [4-(2-fluoro-3-pyridinyl)pyrrolidin-3-yl]methanethiol.

Molecular Properties

Compound Name[4-(2-fluoro-3-pyridinyl)pyrrolidin-3-yl]methanethiol
PubChem CID131124086
Molecular FormulaC10H13FN2S
Molecular Weight212.29 g/mol
Exact Mass212.08
IUPAC Name[4-(2-fluoro-3-pyridinyl)pyrrolidin-3-yl]methanethiol
SMILESFc1ncccc1C1CNCC1CS
InChIInChI=1S/C10H13FN2S/c11-10-8(2-1-3-13-10)9-5-12-4-7(9)6-14/h1-3,7,9,12,14H,4-6H2
InChIKeyQOVHNMMNVVYMSS-UHFFFAOYSA-N
XLogP1.45
TPSA24.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

CID 91462
CID 91462
CID 412
CID 412
CID 11388
CID 11388
CID 93047
CID 93047
CID 261474
CID 261474
CID 854051
CID 854051
CID 13557523
CID 13557523
CID 6919000
CID 6919000
CID 10154265
CID 10154265
CID 12306779
CID 12306779
CID 9815594
CID 9815594
CID 22468072
CID 22468072

Frequently Asked Questions

What is the IUPAC name of [4-(2-fluoro-3-pyridinyl)pyrrolidin-3-yl]methanethiol?
The IUPAC name of [4-(2-fluoro-3-pyridinyl)pyrrolidin-3-yl]methanethiol (CID 131124086) is [4-(2-fluoro-3-pyridinyl)pyrrolidin-3-yl]methanethiol.
What is the SMILES notation for [4-(2-fluoro-3-pyridinyl)pyrrolidin-3-yl]methanethiol?
The canonical SMILES for [4-(2-fluoro-3-pyridinyl)pyrrolidin-3-yl]methanethiol is Fc1ncccc1C1CNCC1CS.
What is the InChIKey of [4-(2-fluoro-3-pyridinyl)pyrrolidin-3-yl]methanethiol?
The InChIKey is QOVHNMMNVVYMSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13FN2S/c11-10-8(2-1-3-13-10)9-5-12-4-7(9)6-14/h1-3,7,9,12,14H,4-6H2.
What are the key properties of [4-(2-fluoro-3-pyridinyl)pyrrolidin-3-yl]methanethiol?
[4-(2-fluoro-3-pyridinyl)pyrrolidin-3-yl]methanethiol has a molecular weight of 212.29 g/mol, XLogP of 1.45, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-fluoro-3-pyridinyl)pyrrolidin-3-yl]methanethiol is sourced from PubChem (CID 131124086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).