3-amino-2-(2-fluorophenyl)sulfanylpyridine-4-carbonitrile

C12H8FN3S — CID 82813835

IUPAC3-amino-2-(2-fluorophenyl)sulfanylpyridine-4-carbonitrile
SMILESN#Cc1ccnc(Sc2ccccc2F)c1N
InChIInChI=1S/C12H8FN3S/c13-9-3-1-2-4-10(9)17-12-11(15)8(7-14)5-6-16-12/h1-6H,15H2
InChIKeyKDTROTHQHNTVOE-UHFFFAOYSA-N
MW245.28 g/mol
LogP2.83
Rot. Bonds2

About 3-amino-2-(2-fluorophenyl)sulfanylpyridine-4-carbonitrile

3-amino-2-(2-fluorophenyl)sulfanylpyridine-4-carbonitrile (PubChem CID 82813835) has the molecular formula C12H8FN3S and a molecular weight of 245.28 g/mol. Its IUPAC name is 3-amino-2-(2-fluorophenyl)sulfanylpyridine-4-carbonitrile.

Molecular Properties

Compound Name3-amino-2-(2-fluorophenyl)sulfanylpyridine-4-carbonitrile
PubChem CID82813835
Molecular FormulaC12H8FN3S
Molecular Weight245.28 g/mol
Exact Mass245.04
IUPAC Name3-amino-2-(2-fluorophenyl)sulfanylpyridine-4-carbonitrile
SMILESN#Cc1ccnc(Sc2ccccc2F)c1N
InChIInChI=1S/C12H8FN3S/c13-9-3-1-2-4-10(9)17-12-11(15)8(7-14)5-6-16-12/h1-6H,15H2
InChIKeyKDTROTHQHNTVOE-UHFFFAOYSA-N
XLogP2.83
TPSA62.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-2-phenylsulfanylpyridine-4-carbonitrile
CID 82813419
3-amino-2-(4-methoxyphenyl)sulfanylpyridine-4-carbonitrile
CID 82812797
2-(2-bromophenyl)sulfanyl-3-chloropyridine-4-carbonitrile
CID 107060721
2-(2-fluorophenyl)sulfanylpyrimidine
CID 91491747
6-(2-fluorophenyl)sulfanyl-5-methylpyrimidin-4-amine
CID 80884520
4-[(2-fluorophenyl)sulfanylmethyl]pyridine-2-carbonitrile
CID 63885602
3-amino-2-[(2-methyl-5,6-dioxo-1H-1,2,4-triazin-3-yl)sulfanyl]pyridine-4-carbonitrile
CID 107785716
2-chloro-4-(2-fluorophenyl)sulfanylbenzonitrile
CID 62946841
3-[(3-cyano-2-pyridinyl)sulfanyl]-4-fluorobenzoic acid
CID 80557218
2-fluoro-4-(2-fluorophenyl)sulfanylpyrimidine
CID 164645397
2-amino-3-phenylsulfanylbenzonitrile
CID 104717495
3-amino-2-[(5-oxo-4-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]pyridine-4-carbonitrile
CID 82813737

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-(2-fluorophenyl)sulfanylpyridine-4-carbonitrile?
The IUPAC name of 3-amino-2-(2-fluorophenyl)sulfanylpyridine-4-carbonitrile (CID 82813835) is 3-amino-2-(2-fluorophenyl)sulfanylpyridine-4-carbonitrile.
What is the SMILES notation for 3-amino-2-(2-fluorophenyl)sulfanylpyridine-4-carbonitrile?
The canonical SMILES for 3-amino-2-(2-fluorophenyl)sulfanylpyridine-4-carbonitrile is N#Cc1ccnc(Sc2ccccc2F)c1N.
What is the InChIKey of 3-amino-2-(2-fluorophenyl)sulfanylpyridine-4-carbonitrile?
The InChIKey is KDTROTHQHNTVOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8FN3S/c13-9-3-1-2-4-10(9)17-12-11(15)8(7-14)5-6-16-12/h1-6H,15H2.
What are the key properties of 3-amino-2-(2-fluorophenyl)sulfanylpyridine-4-carbonitrile?
3-amino-2-(2-fluorophenyl)sulfanylpyridine-4-carbonitrile has a molecular weight of 245.28 g/mol, XLogP of 2.83, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-(2-fluorophenyl)sulfanylpyridine-4-carbonitrile is sourced from PubChem (CID 82813835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).