6-fluoro-N-[5-fluoro-4-(4-fluoro-2-methoxyphenyl)-2-pyridinyl]-4-(methylsulfanylmethyl)pyridin-2-amine

C19H16F3N3OS — CID 90104258

IUPAC6-fluoro-N-[5-fluoro-4-(4-fluoro-2-methoxyphenyl)-2-pyridinyl]-4-(methylsulfanylmethyl)pyridin-2-amine
SMILESCOc1cc(F)ccc1-c1cc(Nc2cc(CSC)cc(F)n2)ncc1F
InChIInChI=1S/C19H16F3N3OS/c1-26-16-7-12(20)3-4-13(16)14-8-18(23-9-15(14)21)25-19-6-11(10-27-2)5-17(22)24-19/h3-9H,10H2,1-2H3,(H,23,24,25)
InChIKeyYRWYNKCRSMPTFK-UHFFFAOYSA-N
MW391.42 g/mol
LogP5.18
Rot. Bonds6

About 6-fluoro-N-[5-fluoro-4-(4-fluoro-2-methoxyphenyl)-2-pyridinyl]-4-(methylsulfanylmethyl)pyridin-2-amine

6-fluoro-N-[5-fluoro-4-(4-fluoro-2-methoxyphenyl)-2-pyridinyl]-4-(methylsulfanylmethyl)pyridin-2-amine (PubChem CID 90104258) has the molecular formula C19H16F3N3OS and a molecular weight of 391.42 g/mol. Its IUPAC name is 6-fluoro-N-[5-fluoro-4-(4-fluoro-2-methoxyphenyl)-2-pyridinyl]-4-(methylsulfanylmethyl)pyridin-2-amine.

Molecular Properties

Compound Name6-fluoro-N-[5-fluoro-4-(4-fluoro-2-methoxyphenyl)-2-pyridinyl]-4-(methylsulfanylmethyl)pyridin-2-amine
PubChem CID90104258
Molecular FormulaC19H16F3N3OS
Molecular Weight391.42 g/mol
Exact Mass391.10
IUPAC Name6-fluoro-N-[5-fluoro-4-(4-fluoro-2-methoxyphenyl)-2-pyridinyl]-4-(methylsulfanylmethyl)pyridin-2-amine
SMILESCOc1cc(F)ccc1-c1cc(Nc2cc(CSC)cc(F)n2)ncc1F
InChIInChI=1S/C19H16F3N3OS/c1-26-16-7-12(20)3-4-13(16)14-8-18(23-9-15(14)21)25-19-6-11(10-27-2)5-17(22)24-19/h3-9H,10H2,1-2H3,(H,23,24,25)
InChIKeyYRWYNKCRSMPTFK-UHFFFAOYSA-N
XLogP5.18
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.42
LogP ≤ 55.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-N-[5-fluoro-4-(4-fluoro-2-methoxyphenyl)-2-pyridinyl]-4-(methylsulfanylmethyl)pyridin-2-amine?
The IUPAC name of 6-fluoro-N-[5-fluoro-4-(4-fluoro-2-methoxyphenyl)-2-pyridinyl]-4-(methylsulfanylmethyl)pyridin-2-amine (CID 90104258) is 6-fluoro-N-[5-fluoro-4-(4-fluoro-2-methoxyphenyl)-2-pyridinyl]-4-(methylsulfanylmethyl)pyridin-2-amine.
What is the SMILES notation for 6-fluoro-N-[5-fluoro-4-(4-fluoro-2-methoxyphenyl)-2-pyridinyl]-4-(methylsulfanylmethyl)pyridin-2-amine?
The canonical SMILES for 6-fluoro-N-[5-fluoro-4-(4-fluoro-2-methoxyphenyl)-2-pyridinyl]-4-(methylsulfanylmethyl)pyridin-2-amine is COc1cc(F)ccc1-c1cc(Nc2cc(CSC)cc(F)n2)ncc1F.
What is the InChIKey of 6-fluoro-N-[5-fluoro-4-(4-fluoro-2-methoxyphenyl)-2-pyridinyl]-4-(methylsulfanylmethyl)pyridin-2-amine?
The InChIKey is YRWYNKCRSMPTFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F3N3OS/c1-26-16-7-12(20)3-4-13(16)14-8-18(23-9-15(14)21)25-19-6-11(10-27-2)5-17(22)24-19/h3-9H,10H2,1-2H3,(H,23,24,25).
What are the key properties of 6-fluoro-N-[5-fluoro-4-(4-fluoro-2-methoxyphenyl)-2-pyridinyl]-4-(methylsulfanylmethyl)pyridin-2-amine?
6-fluoro-N-[5-fluoro-4-(4-fluoro-2-methoxyphenyl)-2-pyridinyl]-4-(methylsulfanylmethyl)pyridin-2-amine has a molecular weight of 391.42 g/mol, XLogP of 5.18, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-N-[5-fluoro-4-(4-fluoro-2-methoxyphenyl)-2-pyridinyl]-4-(methylsulfanylmethyl)pyridin-2-amine is sourced from PubChem (CID 90104258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).