ethane;3-fluoro-4-methylpyridine-2-carbonitrile

C11H17FN2 — CID 156725109

IUPACethane;3-fluoro-4-methylpyridine-2-carbonitrile
SMILESCC.CC.Cc1ccnc(C#N)c1F
InChIInChI=1S/C7H5FN2.2C2H6/c1-5-2-3-10-6(4-9)7(5)8;2*1-2/h2-3H,1H3;2*1-2H3
InChIKeyGSIABRVSNUGQHL-UHFFFAOYSA-N
MW196.27 g/mol
LogP3.45
Rot. Bonds

About ethane;3-fluoro-4-methylpyridine-2-carbonitrile

ethane;3-fluoro-4-methylpyridine-2-carbonitrile (PubChem CID 156725109) has the molecular formula C11H17FN2 and a molecular weight of 196.27 g/mol. Its IUPAC name is ethane;3-fluoro-4-methylpyridine-2-carbonitrile.

Molecular Properties

Compound Nameethane;3-fluoro-4-methylpyridine-2-carbonitrile
PubChem CID156725109
Molecular FormulaC11H17FN2
Molecular Weight196.27 g/mol
Exact Mass196.14
IUPAC Nameethane;3-fluoro-4-methylpyridine-2-carbonitrile
SMILESCC.CC.Cc1ccnc(C#N)c1F
InChIInChI=1S/C7H5FN2.2C2H6/c1-5-2-3-10-6(4-9)7(5)8;2*1-2/h2-3H,1H3;2*1-2H3
InChIKeyGSIABRVSNUGQHL-UHFFFAOYSA-N
XLogP3.45
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.27
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3,4-dimethylpyridine-2-carbonitrile
CID 23003409
2-ethynyl-3-fluoro-4-methylpyridine
CID 74888490
4-chloro-3-fluoropyridine-2-carbonitrile
CID 59529765
4-(3-fluoro-4-methyl-2-pyridinyl)-2-methylbut-3-yn-2-ol
CID 166549064
4-bromo-3-methylpyridine-2-carbonitrile
CID 55253016
4-(1,3-dioxolan-2-yl)-3-fluoropyridine-2-carbonitrile
CID 22310819
4-chloro-3-methylpyridine-2-carbonitrile;hydrochloride
CID 141028452
6-fluoro-3-methylpyridine-2-carbonitrile
CID 104546694
4-[(3-ethyl-5,8-difluoro-1,4-dioxonaphthalen-2-yl)methyl]-3-fluoropyridine-2-carbonitrile
CID 175838810
ethane;2-methoxy-4-methylpyridine-3-carbonitrile
CID 143628109
4-methyl-2-phosphanylpyridine-3-carbonitrile
CID 169182998
4-(4-amino-2-chlorophenyl)-3-fluoropyridine-2-carbonitrile
CID 175711715

Frequently Asked Questions

What is the IUPAC name of ethane;3-fluoro-4-methylpyridine-2-carbonitrile?
The IUPAC name of ethane;3-fluoro-4-methylpyridine-2-carbonitrile (CID 156725109) is ethane;3-fluoro-4-methylpyridine-2-carbonitrile.
What is the SMILES notation for ethane;3-fluoro-4-methylpyridine-2-carbonitrile?
The canonical SMILES for ethane;3-fluoro-4-methylpyridine-2-carbonitrile is CC.CC.Cc1ccnc(C#N)c1F.
What is the InChIKey of ethane;3-fluoro-4-methylpyridine-2-carbonitrile?
The InChIKey is GSIABRVSNUGQHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5FN2.2C2H6/c1-5-2-3-10-6(4-9)7(5)8;2*1-2/h2-3H,1H3;2*1-2H3.
What are the key properties of ethane;3-fluoro-4-methylpyridine-2-carbonitrile?
ethane;3-fluoro-4-methylpyridine-2-carbonitrile has a molecular weight of 196.27 g/mol, XLogP of 3.45, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-fluoro-4-methylpyridine-2-carbonitrile is sourced from PubChem (CID 156725109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).