4-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methylsulfanyl]pyridin-3-amine

C14H13FN2OS — CID 66365684

IUPAC4-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methylsulfanyl]pyridin-3-amine
SMILESNc1cnccc1SCC1Cc2cc(F)ccc2O1
InChIInChI=1S/C14H13FN2OS/c15-10-1-2-13-9(5-10)6-11(18-13)8-19-14-3-4-17-7-12(14)16/h1-5,7,11H,6,8,16H2
InChIKeyWNABUKIBDREIJR-UHFFFAOYSA-N
MW276.34 g/mol
LogP2.90
Rot. Bonds3

About 4-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methylsulfanyl]pyridin-3-amine

4-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methylsulfanyl]pyridin-3-amine (PubChem CID 66365684) has the molecular formula C14H13FN2OS and a molecular weight of 276.34 g/mol. Its IUPAC name is 4-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methylsulfanyl]pyridin-3-amine.

Molecular Properties

Compound Name4-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methylsulfanyl]pyridin-3-amine
PubChem CID66365684
Molecular FormulaC14H13FN2OS
Molecular Weight276.34 g/mol
Exact Mass276.07
IUPAC Name4-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methylsulfanyl]pyridin-3-amine
SMILESNc1cnccc1SCC1Cc2cc(F)ccc2O1
InChIInChI=1S/C14H13FN2OS/c15-10-1-2-13-9(5-10)6-11(18-13)8-19-14-3-4-17-7-12(14)16/h1-5,7,11H,6,8,16H2
InChIKeyWNABUKIBDREIJR-UHFFFAOYSA-N
XLogP2.90
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methylsulfanyl]-3-methylaniline
CID 66362969
4-fluoro-2-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methylsulfanyl]aniline
CID 79148989
5-fluoro-2-(phenylsulfanylmethyl)-2,3-dihydro-1-benzofuran
CID 147180543
[(2R)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]methanamine
CID 92670115
(1R)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-1-pyridin-4-ylethanamine
CID 81409531
2-methyl-6-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methylsulfanyl]aniline
CID 79146573
[3-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methylsulfanyl]phenyl]methanol
CID 66359946
2-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methylsulfanyl]acetic acid
CID 66364079
1-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]imidazole
CID 66360136
2-[(5-bromo-2,3-dihydro-1-benzofuran-2-yl)methylsulfanyl]-4-methylaniline
CID 79142409
4-[(3-fluorophenyl)methylsulfanyl]pyridin-3-amine
CID 43300012
4-[(2-bromo-4-fluorophenyl)methylsulfanyl]pyridin-3-amine
CID 43300126

Frequently Asked Questions

What is the IUPAC name of 4-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methylsulfanyl]pyridin-3-amine?
The IUPAC name of 4-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methylsulfanyl]pyridin-3-amine (CID 66365684) is 4-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methylsulfanyl]pyridin-3-amine.
What is the SMILES notation for 4-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methylsulfanyl]pyridin-3-amine?
The canonical SMILES for 4-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methylsulfanyl]pyridin-3-amine is Nc1cnccc1SCC1Cc2cc(F)ccc2O1.
What is the InChIKey of 4-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methylsulfanyl]pyridin-3-amine?
The InChIKey is WNABUKIBDREIJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FN2OS/c15-10-1-2-13-9(5-10)6-11(18-13)8-19-14-3-4-17-7-12(14)16/h1-5,7,11H,6,8,16H2.
What are the key properties of 4-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methylsulfanyl]pyridin-3-amine?
4-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methylsulfanyl]pyridin-3-amine has a molecular weight of 276.34 g/mol, XLogP of 2.90, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methylsulfanyl]pyridin-3-amine is sourced from PubChem (CID 66365684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).