1-(2-amino-3-pyridinyl)-3-(4-fluorophenyl)sulfanylpropan-2-ol

C14H15FN2OS — CID 66070761

IUPAC1-(2-amino-3-pyridinyl)-3-(4-fluorophenyl)sulfanylpropan-2-ol
SMILESNc1ncccc1CC(O)CSc1ccc(F)cc1
InChIInChI=1S/C14H15FN2OS/c15-11-3-5-13(6-4-11)19-9-12(18)8-10-2-1-7-17-14(10)16/h1-7,12,18H,8-9H2,(H2,16,17)
InChIKeyCGHISPJOHWCSEP-UHFFFAOYSA-N
MW278.35 g/mol
LogP2.50
Rot. Bonds5

About 1-(2-amino-3-pyridinyl)-3-(4-fluorophenyl)sulfanylpropan-2-ol

1-(2-amino-3-pyridinyl)-3-(4-fluorophenyl)sulfanylpropan-2-ol (PubChem CID 66070761) has the molecular formula C14H15FN2OS and a molecular weight of 278.35 g/mol. Its IUPAC name is 1-(2-amino-3-pyridinyl)-3-(4-fluorophenyl)sulfanylpropan-2-ol.

Molecular Properties

Compound Name1-(2-amino-3-pyridinyl)-3-(4-fluorophenyl)sulfanylpropan-2-ol
PubChem CID66070761
Molecular FormulaC14H15FN2OS
Molecular Weight278.35 g/mol
Exact Mass278.09
IUPAC Name1-(2-amino-3-pyridinyl)-3-(4-fluorophenyl)sulfanylpropan-2-ol
SMILESNc1ncccc1CC(O)CSc1ccc(F)cc1
InChIInChI=1S/C14H15FN2OS/c15-11-3-5-13(6-4-11)19-9-12(18)8-10-2-1-7-17-14(10)16/h1-7,12,18H,8-9H2,(H2,16,17)
InChIKeyCGHISPJOHWCSEP-UHFFFAOYSA-N
XLogP2.50
TPSA59.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-amino-3-pyridinyl)-3-(4-chlorophenyl)sulfanylpropan-2-ol
CID 66143183
1-(2,6-difluorophenyl)-3-(4-fluorophenyl)sulfanylpropan-2-ol
CID 114931542
1-(2-amino-3-pyridinyl)-3-(3-chloro-2-fluorophenyl)propan-2-ol
CID 82802957
1-(2-amino-5-fluorophenyl)-2-(2-amino-3-pyridinyl)ethanol
CID 82684971
2-(2-amino-3-pyridinyl)-1-(3-bromo-5-fluorophenyl)ethanol
CID 66425032
3-[(2,4-difluorophenyl)sulfanylmethyl]pyridin-2-amine
CID 62468556
3-[2-hydrazinyl-2-(4-methylsulfanylphenyl)ethyl]pyridin-2-amine
CID 106850370
2-(2-amino-3-pyridinyl)-1-(4-bromo-3-fluorophenyl)ethanol
CID 81447980
3-(2-methylpropyl)pyridin-2-amine
CID 20771927
1-(2-chloro-3-fluorophenyl)-3-(4-chlorophenyl)sulfanylpropan-2-ol
CID 115983590
3-[2-amino-2-(3-bromo-4-fluorophenyl)ethyl]pyridin-2-amine
CID 82809422
2-(4-fluorophenyl)sulfanyl-1-quinolin-8-ylethanamine
CID 81229127

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-3-pyridinyl)-3-(4-fluorophenyl)sulfanylpropan-2-ol?
The IUPAC name of 1-(2-amino-3-pyridinyl)-3-(4-fluorophenyl)sulfanylpropan-2-ol (CID 66070761) is 1-(2-amino-3-pyridinyl)-3-(4-fluorophenyl)sulfanylpropan-2-ol.
What is the SMILES notation for 1-(2-amino-3-pyridinyl)-3-(4-fluorophenyl)sulfanylpropan-2-ol?
The canonical SMILES for 1-(2-amino-3-pyridinyl)-3-(4-fluorophenyl)sulfanylpropan-2-ol is Nc1ncccc1CC(O)CSc1ccc(F)cc1.
What is the InChIKey of 1-(2-amino-3-pyridinyl)-3-(4-fluorophenyl)sulfanylpropan-2-ol?
The InChIKey is CGHISPJOHWCSEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN2OS/c15-11-3-5-13(6-4-11)19-9-12(18)8-10-2-1-7-17-14(10)16/h1-7,12,18H,8-9H2,(H2,16,17).
What are the key properties of 1-(2-amino-3-pyridinyl)-3-(4-fluorophenyl)sulfanylpropan-2-ol?
1-(2-amino-3-pyridinyl)-3-(4-fluorophenyl)sulfanylpropan-2-ol has a molecular weight of 278.35 g/mol, XLogP of 2.50, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-3-pyridinyl)-3-(4-fluorophenyl)sulfanylpropan-2-ol is sourced from PubChem (CID 66070761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).