2-fluoro-3-[3-fluoro-1-[(5-methyl-3-pyridinyl)sulfonyl]pyrrol-2-yl]pyridine

C15H11F2N3O2S — CID 141360445

IUPAC2-fluoro-3-[3-fluoro-1-[(5-methyl-3-pyridinyl)sulfonyl]pyrrol-2-yl]pyridine
SMILESCc1cncc(S(=O)(=O)n2ccc(F)c2-c2cccnc2F)c1
InChIInChI=1S/C15H11F2N3O2S/c1-10-7-11(9-18-8-10)23(21,22)20-6-4-13(16)14(20)12-3-2-5-19-15(12)17/h2-9H,1H3
InChIKeySERYJCNAEHIOHA-UHFFFAOYSA-N
MW335.34 g/mol
LogP2.77
Rot. Bonds3

About 2-fluoro-3-[3-fluoro-1-[(5-methyl-3-pyridinyl)sulfonyl]pyrrol-2-yl]pyridine

2-fluoro-3-[3-fluoro-1-[(5-methyl-3-pyridinyl)sulfonyl]pyrrol-2-yl]pyridine (PubChem CID 141360445) has the molecular formula C15H11F2N3O2S and a molecular weight of 335.34 g/mol. Its IUPAC name is 2-fluoro-3-[3-fluoro-1-[(5-methyl-3-pyridinyl)sulfonyl]pyrrol-2-yl]pyridine.

Molecular Properties

Compound Name2-fluoro-3-[3-fluoro-1-[(5-methyl-3-pyridinyl)sulfonyl]pyrrol-2-yl]pyridine
PubChem CID141360445
Molecular FormulaC15H11F2N3O2S
Molecular Weight335.34 g/mol
Exact Mass335.05
IUPAC Name2-fluoro-3-[3-fluoro-1-[(5-methyl-3-pyridinyl)sulfonyl]pyrrol-2-yl]pyridine
SMILESCc1cncc(S(=O)(=O)n2ccc(F)c2-c2cccnc2F)c1
InChIInChI=1S/C15H11F2N3O2S/c1-10-7-11(9-18-8-10)23(21,22)20-6-4-13(16)14(20)12-3-2-5-19-15(12)17/h2-9H,1H3
InChIKeySERYJCNAEHIOHA-UHFFFAOYSA-N
XLogP2.77
TPSA64.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.34
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[4-fluoro-5-(2-fluoro-3-pyridinyl)-1-[(5-fluoro-3-pyridinyl)sulfonyl]pyrrol-3-yl]ethylcarbamic acid
CID 67313273
5-chloro-3-fluoro-2-methylpyridine;1-[4-fluoro-1-[(5-fluoro-6-methyl-3-pyridinyl)sulfonyl]-5-(2-fluoro-3-pyridinyl)pyrrol-3-yl]-N-methylmethanamine
CID 67178858
[4-fluoro-5-(2-fluoro-3-pyridinyl)-1-pyridin-3-ylsulfonylpyrrol-3-yl]methyl N-tert-butyl-N-methylcarbamate
CID 69096453
[4-fluoro-5-(2-fluoro-3-pyridinyl)-1-(1-methylpyrazol-4-yl)sulfonylpyrrol-3-yl]methyl-methylcarbamic acid
CID 69274428
2,2-dimethylpropyl-[[4-fluoro-5-(2-fluoro-3-pyridinyl)-1-[(6-methyl-3-pyridinyl)sulfonyl]pyrrol-3-yl]methyl]carbamic acid
CID 67177941
1-[1-(3-fluoro-4-methylphenyl)sulfonyl-5-(2-fluoro-3-pyridinyl)pyrrol-3-yl]-N-methylmethanamine
CID 67084101
1-[4-fluoro-5-(2-fluoro-3-pyridinyl)-1-[(3-methyl-2-pyridinyl)sulfonyl]pyrrol-3-yl]-N-methylmethanamine
CID 67084257
1-(4-chlorophenyl)sulfonyl-5-(2-fluoro-3-pyridinyl)pyrrole-3-carbaldehyde
CID 164883787
2-[1-[1-(difluoromethyl)pyrazol-4-yl]sulfonyl-4-fluoro-5-(2-fluoro-3-pyridinyl)pyrrol-3-yl]ethylcarbamic acid
CID 69274645
2-[4-fluoro-5-(2-fluoro-3-pyridinyl)-1-[3-(methylsulfanylmethyl)phenyl]sulfonylpyrrol-3-yl]ethylcarbamic acid
CID 69275714
2,6-difluoro-4-(4-pyridin-2-ylpyrrolo[2,3-c]pyridin-1-yl)sulfonylaniline
CID 171108710
[4-fluoro-5-(2-fluoro-3-pyridinyl)-1-thiophen-3-ylsulfonylpyrrol-3-yl]methyl-methylcarbamic acid
CID 69275723

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-3-[3-fluoro-1-[(5-methyl-3-pyridinyl)sulfonyl]pyrrol-2-yl]pyridine?
The IUPAC name of 2-fluoro-3-[3-fluoro-1-[(5-methyl-3-pyridinyl)sulfonyl]pyrrol-2-yl]pyridine (CID 141360445) is 2-fluoro-3-[3-fluoro-1-[(5-methyl-3-pyridinyl)sulfonyl]pyrrol-2-yl]pyridine.
What is the SMILES notation for 2-fluoro-3-[3-fluoro-1-[(5-methyl-3-pyridinyl)sulfonyl]pyrrol-2-yl]pyridine?
The canonical SMILES for 2-fluoro-3-[3-fluoro-1-[(5-methyl-3-pyridinyl)sulfonyl]pyrrol-2-yl]pyridine is Cc1cncc(S(=O)(=O)n2ccc(F)c2-c2cccnc2F)c1.
What is the InChIKey of 2-fluoro-3-[3-fluoro-1-[(5-methyl-3-pyridinyl)sulfonyl]pyrrol-2-yl]pyridine?
The InChIKey is SERYJCNAEHIOHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F2N3O2S/c1-10-7-11(9-18-8-10)23(21,22)20-6-4-13(16)14(20)12-3-2-5-19-15(12)17/h2-9H,1H3.
What are the key properties of 2-fluoro-3-[3-fluoro-1-[(5-methyl-3-pyridinyl)sulfonyl]pyrrol-2-yl]pyridine?
2-fluoro-3-[3-fluoro-1-[(5-methyl-3-pyridinyl)sulfonyl]pyrrol-2-yl]pyridine has a molecular weight of 335.34 g/mol, XLogP of 2.77, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-3-[3-fluoro-1-[(5-methyl-3-pyridinyl)sulfonyl]pyrrol-2-yl]pyridine is sourced from PubChem (CID 141360445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).