2-chloro-6-(3-fluoro-2-methylanilino)pyridine-4-carbonitrile

C13H9ClFN3 — CID 83077396

IUPAC2-chloro-6-(3-fluoro-2-methylanilino)pyridine-4-carbonitrile
SMILESCc1c(F)cccc1Nc1cc(C#N)cc(Cl)n1
InChIInChI=1S/C13H9ClFN3/c1-8-10(15)3-2-4-11(8)17-13-6-9(7-16)5-12(14)18-13/h2-6H,1H3,(H,17,18)
InChIKeyQLHHWGWAWGAXLH-UHFFFAOYSA-N
MW261.69 g/mol
LogP3.80
Rot. Bonds2

About 2-chloro-6-(3-fluoro-2-methylanilino)pyridine-4-carbonitrile

2-chloro-6-(3-fluoro-2-methylanilino)pyridine-4-carbonitrile (PubChem CID 83077396) has the molecular formula C13H9ClFN3 and a molecular weight of 261.69 g/mol. Its IUPAC name is 2-chloro-6-(3-fluoro-2-methylanilino)pyridine-4-carbonitrile.

Molecular Properties

Compound Name2-chloro-6-(3-fluoro-2-methylanilino)pyridine-4-carbonitrile
PubChem CID83077396
Molecular FormulaC13H9ClFN3
Molecular Weight261.69 g/mol
Exact Mass261.05
IUPAC Name2-chloro-6-(3-fluoro-2-methylanilino)pyridine-4-carbonitrile
SMILESCc1c(F)cccc1Nc1cc(C#N)cc(Cl)n1
InChIInChI=1S/C13H9ClFN3/c1-8-10(15)3-2-4-11(8)17-13-6-9(7-16)5-12(14)18-13/h2-6H,1H3,(H,17,18)
InChIKeyQLHHWGWAWGAXLH-UHFFFAOYSA-N
XLogP3.80
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.69
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-6-(3-fluoro-4-methylanilino)pyridine-4-carbonitrile
CID 83074701
2-chloro-6-(3,4-difluoroanilino)pyridine-4-carbonitrile
CID 83072936
2-chloro-6-[2-methyl-5-(trifluoromethyl)anilino]pyridine-4-carbonitrile
CID 83077729
2-chloro-6-(4-methylanilino)pyridine-4-carbonitrile
CID 83073400
2-(2,3-dichloroanilino)-6-methylpyridine-4-carbonitrile
CID 114765804
2-[[6-(3-chloro-2-methylanilino)-2-methylpyrimidin-4-yl]amino]benzonitrile
CID 112878078
5-fluoro-2-(3-fluoro-2-methylanilino)benzonitrile
CID 63667348
2-fluoro-4-(3-fluoro-2-methylanilino)benzonitrile
CID 113295636
5-amino-6-(3-fluoro-2-methylanilino)pyridine-3-carbonitrile
CID 103468059
2-chloro-6-(2,5-dibromoanilino)pyridine-4-carbonitrile
CID 83073282
4-(3-chloro-2-methylanilino)-3-fluorobenzonitrile
CID 43657055
3-[(6-chloro-2-pyridinyl)amino]-4-methylbenzonitrile
CID 55213185

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-(3-fluoro-2-methylanilino)pyridine-4-carbonitrile?
The IUPAC name of 2-chloro-6-(3-fluoro-2-methylanilino)pyridine-4-carbonitrile (CID 83077396) is 2-chloro-6-(3-fluoro-2-methylanilino)pyridine-4-carbonitrile.
What is the SMILES notation for 2-chloro-6-(3-fluoro-2-methylanilino)pyridine-4-carbonitrile?
The canonical SMILES for 2-chloro-6-(3-fluoro-2-methylanilino)pyridine-4-carbonitrile is Cc1c(F)cccc1Nc1cc(C#N)cc(Cl)n1.
What is the InChIKey of 2-chloro-6-(3-fluoro-2-methylanilino)pyridine-4-carbonitrile?
The InChIKey is QLHHWGWAWGAXLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClFN3/c1-8-10(15)3-2-4-11(8)17-13-6-9(7-16)5-12(14)18-13/h2-6H,1H3,(H,17,18).
What are the key properties of 2-chloro-6-(3-fluoro-2-methylanilino)pyridine-4-carbonitrile?
2-chloro-6-(3-fluoro-2-methylanilino)pyridine-4-carbonitrile has a molecular weight of 261.69 g/mol, XLogP of 3.80, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-(3-fluoro-2-methylanilino)pyridine-4-carbonitrile is sourced from PubChem (CID 83077396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).