5-[fluoro(phosphanyl)methyl]pyridine-3-thiol

C6H7FNPS — CID 170003378

IUPAC5-[fluoro(phosphanyl)methyl]pyridine-3-thiol
SMILESFC(P)c1cncc(S)c1
InChIInChI=1S/C6H7FNPS/c7-6(9)4-1-5(10)3-8-2-4/h1-3,6,10H,9H2
InChIKeyUOHBPWJUBLDYOV-UHFFFAOYSA-N
MW175.17 g/mol
LogP2.21
Rot. Bonds1

About 5-[fluoro(phosphanyl)methyl]pyridine-3-thiol

5-[fluoro(phosphanyl)methyl]pyridine-3-thiol (PubChem CID 170003378) has the molecular formula C6H7FNPS and a molecular weight of 175.17 g/mol. Its IUPAC name is 5-[fluoro(phosphanyl)methyl]pyridine-3-thiol.

Molecular Properties

Compound Name5-[fluoro(phosphanyl)methyl]pyridine-3-thiol
PubChem CID170003378
Molecular FormulaC6H7FNPS
Molecular Weight175.17 g/mol
Exact Mass175.00
IUPAC Name5-[fluoro(phosphanyl)methyl]pyridine-3-thiol
SMILESFC(P)c1cncc(S)c1
InChIInChI=1S/C6H7FNPS/c7-6(9)4-1-5(10)3-8-2-4/h1-3,6,10H,9H2
InChIKeyUOHBPWJUBLDYOV-UHFFFAOYSA-N
XLogP2.21
TPSA12.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.17
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

ethane;5-methylpyridine-3-thiol
CID 144877949
3-(difluoromethyl)-5-iodopyridine
CID 99979257
5-ethynylpyridine-3-thiol
CID 74892547
ethane;5-(5-methyl-2-pyridinyl)pyridine-3-thiol
CID 142403744
2,3-dimethyl-1-(5-methyl-3-pyridinyl)butan-1-amine
CID 105023232
5-sulfanylpyridine-3-carbonitrile;(1R)-2,2,2-trifluoro-N-methyl-1-[4-(trifluoromethyl)phenyl]ethanamine
CID 177189407
(1S)-1-[5-[5-[(1S)-1-hydroxy-2-methylpropyl]-3-pyridinyl]-3-pyridinyl]-2-methylpropan-1-ol
CID 11335596
2,2-difluoro-1-(5-methoxy-3-pyridinyl)ethanol
CID 112575542
(1S)-1-(5-bromo-3-pyridinyl)-3,3-difluoropropan-1-amine
CID 171312815
3-(dimethoxymethyl)-5-methoxypyridine
CID 45361740
2-cyclopropyl-1-(5-fluoro-3-pyridinyl)-2-methoxyethanamine
CID 116722038
3-(difluoromethyl)-5-hexan-2-ylpyridine
CID 156508681

Frequently Asked Questions

What is the IUPAC name of 5-[fluoro(phosphanyl)methyl]pyridine-3-thiol?
The IUPAC name of 5-[fluoro(phosphanyl)methyl]pyridine-3-thiol (CID 170003378) is 5-[fluoro(phosphanyl)methyl]pyridine-3-thiol.
What is the SMILES notation for 5-[fluoro(phosphanyl)methyl]pyridine-3-thiol?
The canonical SMILES for 5-[fluoro(phosphanyl)methyl]pyridine-3-thiol is FC(P)c1cncc(S)c1.
What is the InChIKey of 5-[fluoro(phosphanyl)methyl]pyridine-3-thiol?
The InChIKey is UOHBPWJUBLDYOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7FNPS/c7-6(9)4-1-5(10)3-8-2-4/h1-3,6,10H,9H2.
What are the key properties of 5-[fluoro(phosphanyl)methyl]pyridine-3-thiol?
5-[fluoro(phosphanyl)methyl]pyridine-3-thiol has a molecular weight of 175.17 g/mol, XLogP of 2.21, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[fluoro(phosphanyl)methyl]pyridine-3-thiol is sourced from PubChem (CID 170003378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).