6-(4-fluoro-3-methylphenyl)-2-(methylamino)pyridine-3-carbonitrile

C14H12FN3 — CID 82117516

IUPAC6-(4-fluoro-3-methylphenyl)-2-(methylamino)pyridine-3-carbonitrile
SMILESCNc1nc(-c2ccc(F)c(C)c2)ccc1C#N
InChIInChI=1S/C14H12FN3/c1-9-7-10(3-5-12(9)15)13-6-4-11(8-16)14(17-2)18-13/h3-7H,1-2H3,(H,17,18)
InChIKeyYHTNLXYIYWOVMD-UHFFFAOYSA-N
MW241.27 g/mol
LogP3.11
Rot. Bonds2

About 6-(4-fluoro-3-methylphenyl)-2-(methylamino)pyridine-3-carbonitrile

6-(4-fluoro-3-methylphenyl)-2-(methylamino)pyridine-3-carbonitrile (PubChem CID 82117516) has the molecular formula C14H12FN3 and a molecular weight of 241.27 g/mol. Its IUPAC name is 6-(4-fluoro-3-methylphenyl)-2-(methylamino)pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-(4-fluoro-3-methylphenyl)-2-(methylamino)pyridine-3-carbonitrile
PubChem CID82117516
Molecular FormulaC14H12FN3
Molecular Weight241.27 g/mol
Exact Mass241.10
IUPAC Name6-(4-fluoro-3-methylphenyl)-2-(methylamino)pyridine-3-carbonitrile
SMILESCNc1nc(-c2ccc(F)c(C)c2)ccc1C#N
InChIInChI=1S/C14H12FN3/c1-9-7-10(3-5-12(9)15)13-6-4-11(8-16)14(17-2)18-13/h3-7H,1-2H3,(H,17,18)
InChIKeyYHTNLXYIYWOVMD-UHFFFAOYSA-N
XLogP3.11
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.27
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-(3,4-dichlorophenyl)-2-(methylamino)pyridine-3-carbonitrile
CID 55045417
6-(2,3-dihydro-1H-inden-5-yl)-2-(methylamino)pyridine-3-carbonitrile
CID 82119162
6-(4-butan-2-ylphenyl)-2-(methylamino)pyridine-3-carbonitrile
CID 82122656
2-(methylamino)-6-(1-methylpyrazol-4-yl)pyridine-3-carbonitrile
CID 62196464
6-(4-chlorophenyl)-2-(ethylamino)pyridine-3-carbonitrile
CID 62197446
6-(4-methylphenyl)-2-(propan-2-ylamino)pyridine-3-carbonitrile
CID 82119525
6-(4-fluoro-3-methylphenyl)-N,3-dimethyl-1,2,4-triazin-5-amine
CID 116823562
6-(5-bromothiophen-2-yl)-2-(methylamino)pyridine-3-carbonitrile
CID 62198063
2,6-bis(methylamino)pyridine-3-carbonitrile
CID 119091298
2-(ethylamino)-6-(3-methylphenyl)pyridine-3-carbonitrile
CID 62196307
2-(methylamino)-6-thiophen-2-ylpyridine-3-carbonitrile
CID 62197120
6-(5-chlorothiophen-2-yl)-2-(methylamino)pyridine-3-carbonitrile
CID 62196141

Frequently Asked Questions

What is the IUPAC name of 6-(4-fluoro-3-methylphenyl)-2-(methylamino)pyridine-3-carbonitrile?
The IUPAC name of 6-(4-fluoro-3-methylphenyl)-2-(methylamino)pyridine-3-carbonitrile (CID 82117516) is 6-(4-fluoro-3-methylphenyl)-2-(methylamino)pyridine-3-carbonitrile.
What is the SMILES notation for 6-(4-fluoro-3-methylphenyl)-2-(methylamino)pyridine-3-carbonitrile?
The canonical SMILES for 6-(4-fluoro-3-methylphenyl)-2-(methylamino)pyridine-3-carbonitrile is CNc1nc(-c2ccc(F)c(C)c2)ccc1C#N.
What is the InChIKey of 6-(4-fluoro-3-methylphenyl)-2-(methylamino)pyridine-3-carbonitrile?
The InChIKey is YHTNLXYIYWOVMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FN3/c1-9-7-10(3-5-12(9)15)13-6-4-11(8-16)14(17-2)18-13/h3-7H,1-2H3,(H,17,18).
What are the key properties of 6-(4-fluoro-3-methylphenyl)-2-(methylamino)pyridine-3-carbonitrile?
6-(4-fluoro-3-methylphenyl)-2-(methylamino)pyridine-3-carbonitrile has a molecular weight of 241.27 g/mol, XLogP of 3.11, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-fluoro-3-methylphenyl)-2-(methylamino)pyridine-3-carbonitrile is sourced from PubChem (CID 82117516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).