ethane;3-fluoro-5-methylpyridine-2-carbonitrile

C9H11FN2 — CID 143407893

IUPACethane;3-fluoro-5-methylpyridine-2-carbonitrile
SMILESCC.Cc1cnc(C#N)c(F)c1
InChIInChI=1S/C7H5FN2.C2H6/c1-5-2-6(8)7(3-9)10-4-5;1-2/h2,4H,1H3;1-2H3
InChIKeyXFFIHFVKFMXDMV-UHFFFAOYSA-N
MW166.20 g/mol
LogP2.43
Rot. Bonds

About ethane;3-fluoro-5-methylpyridine-2-carbonitrile

ethane;3-fluoro-5-methylpyridine-2-carbonitrile (PubChem CID 143407893) has the molecular formula C9H11FN2 and a molecular weight of 166.20 g/mol. Its IUPAC name is ethane;3-fluoro-5-methylpyridine-2-carbonitrile.

Molecular Properties

Compound Nameethane;3-fluoro-5-methylpyridine-2-carbonitrile
PubChem CID143407893
Molecular FormulaC9H11FN2
Molecular Weight166.20 g/mol
Exact Mass166.09
IUPAC Nameethane;3-fluoro-5-methylpyridine-2-carbonitrile
SMILESCC.Cc1cnc(C#N)c(F)c1
InChIInChI=1S/C7H5FN2.C2H6/c1-5-2-6(8)7(3-9)10-4-5;1-2/h2,4H,1H3;1-2H3
InChIKeyXFFIHFVKFMXDMV-UHFFFAOYSA-N
XLogP2.43
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.20
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

ethane;3-fluoro-5-propan-2-ylpyridine-2-carbonitrile
CID 145084095
3-fluoro-5-(2-methyl-4-pyridinyl)pyridine-2-carbonitrile
CID 90167151
2-(2-cyclopropylethynyl)-3-fluoro-5-methylpyridine
CID 122242641
3-(difluoromethoxy)-5-methylpyridine-2-carbonitrile
CID 130982446
ethyl 2-cyano-5-methylpyridine-3-carboxylate
CID 117275747
CID 89155806
CID 89155806
3-fluoro-5-(2,2,4,4-tetramethylcyclobutyl)oxypyridine-2-carbonitrile
CID 176983892
5-(3,4-dichlorophenyl)-3-fluoropyridine-2-carbonitrile
CID 133095931
5-(3-cyanoprop-1-ynyl)-3-fluoropyridine-2-carbonitrile
CID 170474754
methyl 2-(2-cyano-5-methyl-3-pyridinyl)acetate
CID 131074231
3-fluoro-5-(4-formylphenyl)pyridine-2-carbonitrile
CID 146636310
3-fluoro-5-methyl-2-(trifluoromethyl)pyridine
CID 23568437

Frequently Asked Questions

What is the IUPAC name of ethane;3-fluoro-5-methylpyridine-2-carbonitrile?
The IUPAC name of ethane;3-fluoro-5-methylpyridine-2-carbonitrile (CID 143407893) is ethane;3-fluoro-5-methylpyridine-2-carbonitrile.
What is the SMILES notation for ethane;3-fluoro-5-methylpyridine-2-carbonitrile?
The canonical SMILES for ethane;3-fluoro-5-methylpyridine-2-carbonitrile is CC.Cc1cnc(C#N)c(F)c1.
What is the InChIKey of ethane;3-fluoro-5-methylpyridine-2-carbonitrile?
The InChIKey is XFFIHFVKFMXDMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5FN2.C2H6/c1-5-2-6(8)7(3-9)10-4-5;1-2/h2,4H,1H3;1-2H3.
What are the key properties of ethane;3-fluoro-5-methylpyridine-2-carbonitrile?
ethane;3-fluoro-5-methylpyridine-2-carbonitrile has a molecular weight of 166.20 g/mol, XLogP of 2.43, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-fluoro-5-methylpyridine-2-carbonitrile is sourced from PubChem (CID 143407893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).