3-[(2,5-difluorophenyl)sulfinylmethyl]pyridine-2-carbonitrile

C13H8F2N2OS — CID 64691744

IUPAC3-[(2,5-difluorophenyl)sulfinylmethyl]pyridine-2-carbonitrile
SMILESN#Cc1ncccc1CS(=O)c1cc(F)ccc1F
InChIInChI=1S/C13H8F2N2OS/c14-10-3-4-11(15)13(6-10)19(18)8-9-2-1-5-17-12(9)7-16/h1-6H,8H2
InChIKeyMJSOWDBJSGSEPD-UHFFFAOYSA-N
MW278.28 g/mol
LogP2.54
Rot. Bonds3

About 3-[(2,5-difluorophenyl)sulfinylmethyl]pyridine-2-carbonitrile

3-[(2,5-difluorophenyl)sulfinylmethyl]pyridine-2-carbonitrile (PubChem CID 64691744) has the molecular formula C13H8F2N2OS and a molecular weight of 278.28 g/mol. Its IUPAC name is 3-[(2,5-difluorophenyl)sulfinylmethyl]pyridine-2-carbonitrile.

Molecular Properties

Compound Name3-[(2,5-difluorophenyl)sulfinylmethyl]pyridine-2-carbonitrile
PubChem CID64691744
Molecular FormulaC13H8F2N2OS
Molecular Weight278.28 g/mol
Exact Mass278.03
IUPAC Name3-[(2,5-difluorophenyl)sulfinylmethyl]pyridine-2-carbonitrile
SMILESN#Cc1ncccc1CS(=O)c1cc(F)ccc1F
InChIInChI=1S/C13H8F2N2OS/c14-10-3-4-11(15)13(6-10)19(18)8-9-2-1-5-17-12(9)7-16/h1-6H,8H2
InChIKeyMJSOWDBJSGSEPD-UHFFFAOYSA-N
XLogP2.54
TPSA53.75 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.28
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(3-chloro-4-fluorophenyl)sulfinylmethyl]pyridine-2-carbonitrile
CID 115477488
5-[(2,5-difluorophenyl)sulfinylmethyl]-2-fluorobenzonitrile
CID 107894573
3-[(2,4-difluoroanilino)methyl]pyridine-2-carbonitrile
CID 55128109
3-[(4-fluorophenoxy)methyl]pyridine-2-carbonitrile
CID 10036717
2-[(2,4-difluorophenyl)sulfinylmethyl]benzonitrile
CID 64689687
3-(3-aminopropylsulfinylmethyl)pyridine-2-carbonitrile
CID 81187209
3-[(2,3,4-trifluoroanilino)methyl]pyridine-2-carbonitrile
CID 62895867
3-(cyclohexylsulfinylmethyl)pyridine-2-carbonitrile
CID 64692156
3-[(3-amino-2-pyridinyl)sulfinylmethyl]-4-fluorobenzonitrile
CID 61369050
3-[(2,3,5,6-tetrafluorophenoxy)methyl]pyridine-2-carbonitrile
CID 103289458
3-(2-aminoethyl)pyridine-2-carbonitrile
CID 83872418
3-[(4-fluoro-3-propan-2-ylphenoxy)methyl]pyridine-2-carbonitrile
CID 163255226

Frequently Asked Questions

What is the IUPAC name of 3-[(2,5-difluorophenyl)sulfinylmethyl]pyridine-2-carbonitrile?
The IUPAC name of 3-[(2,5-difluorophenyl)sulfinylmethyl]pyridine-2-carbonitrile (CID 64691744) is 3-[(2,5-difluorophenyl)sulfinylmethyl]pyridine-2-carbonitrile.
What is the SMILES notation for 3-[(2,5-difluorophenyl)sulfinylmethyl]pyridine-2-carbonitrile?
The canonical SMILES for 3-[(2,5-difluorophenyl)sulfinylmethyl]pyridine-2-carbonitrile is N#Cc1ncccc1CS(=O)c1cc(F)ccc1F.
What is the InChIKey of 3-[(2,5-difluorophenyl)sulfinylmethyl]pyridine-2-carbonitrile?
The InChIKey is MJSOWDBJSGSEPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8F2N2OS/c14-10-3-4-11(15)13(6-10)19(18)8-9-2-1-5-17-12(9)7-16/h1-6H,8H2.
What are the key properties of 3-[(2,5-difluorophenyl)sulfinylmethyl]pyridine-2-carbonitrile?
3-[(2,5-difluorophenyl)sulfinylmethyl]pyridine-2-carbonitrile has a molecular weight of 278.28 g/mol, XLogP of 2.54, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,5-difluorophenyl)sulfinylmethyl]pyridine-2-carbonitrile is sourced from PubChem (CID 64691744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).