2-(3-chloro-4-fluoroanilino)-2-pyridin-3-ylpropanenitrile

C14H11ClFN3 — CID 13488696

IUPAC2-(3-chloro-4-fluoroanilino)-2-pyridin-3-ylpropanenitrile
SMILESCC(C#N)(Nc1ccc(F)c(Cl)c1)c1cccnc1
InChIInChI=1S/C14H11ClFN3/c1-14(9-17,10-3-2-6-18-8-10)19-11-4-5-13(16)12(15)7-11/h2-8,19H,1H3
InChIKeyCMZRGVHYUPRMFO-UHFFFAOYSA-N
MW275.71 g/mol
LogP3.72
Rot. Bonds3

About 2-(3-chloro-4-fluoroanilino)-2-pyridin-3-ylpropanenitrile

2-(3-chloro-4-fluoroanilino)-2-pyridin-3-ylpropanenitrile (PubChem CID 13488696) has the molecular formula C14H11ClFN3 and a molecular weight of 275.71 g/mol. Its IUPAC name is 2-(3-chloro-4-fluoroanilino)-2-pyridin-3-ylpropanenitrile.

Molecular Properties

Compound Name2-(3-chloro-4-fluoroanilino)-2-pyridin-3-ylpropanenitrile
PubChem CID13488696
Molecular FormulaC14H11ClFN3
Molecular Weight275.71 g/mol
Exact Mass275.06
IUPAC Name2-(3-chloro-4-fluoroanilino)-2-pyridin-3-ylpropanenitrile
SMILESCC(C#N)(Nc1ccc(F)c(Cl)c1)c1cccnc1
InChIInChI=1S/C14H11ClFN3/c1-14(9-17,10-3-2-6-18-8-10)19-11-4-5-13(16)12(15)7-11/h2-8,19H,1H3
InChIKeyCMZRGVHYUPRMFO-UHFFFAOYSA-N
XLogP3.72
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.71
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-(4-chloroanilino)-2-pyridin-3-ylpropanenitrile
CID 825086
3-chloro-4-fluoro-N-(2-pyridin-3-ylethyl)aniline
CID 83107487
3,5-difluoro-4-[(2-methyl-2-pyridin-3-ylpropyl)amino]benzonitrile
CID 166237131
1-(3-chloro-4-fluorophenyl)-N-[(1S)-1-pyridin-3-ylethyl]ethanamine
CID 81344921
4-(3-chloro-4-fluoroanilino)-7-methyl-6-(pyridin-3-ylmethylamino)quinoline-3-carbonitrile
CID 69259031
6-N-(3-chloro-4-fluorophenyl)-4-N-pyridin-3-ylpyrimidine-4,5,6-triamine
CID 19145485
N-(3-chloro-4-fluorophenyl)-5-pyridin-3-yl-1,3,4-thiadiazol-2-amine
CID 1258107
N-(3-chloro-4-fluorophenyl)-5-methylpyrimidin-2-amine
CID 63208281
2-(3-chloro-4-fluoroanilino)pyridine-3-carbonitrile
CID 28832788
3-bromo-N-(3-chloro-4-fluorophenyl)pyridin-4-amine
CID 104776772
N-(3-chloro-4-fluorophenyl)-3-methylpyridine-4-carboxamide
CID 110859368
2-(4-methylanilino)-2-pyridin-3-ylpropan-1-ol
CID 61045318

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-fluoroanilino)-2-pyridin-3-ylpropanenitrile?
The IUPAC name of 2-(3-chloro-4-fluoroanilino)-2-pyridin-3-ylpropanenitrile (CID 13488696) is 2-(3-chloro-4-fluoroanilino)-2-pyridin-3-ylpropanenitrile.
What is the SMILES notation for 2-(3-chloro-4-fluoroanilino)-2-pyridin-3-ylpropanenitrile?
The canonical SMILES for 2-(3-chloro-4-fluoroanilino)-2-pyridin-3-ylpropanenitrile is CC(C#N)(Nc1ccc(F)c(Cl)c1)c1cccnc1.
What is the InChIKey of 2-(3-chloro-4-fluoroanilino)-2-pyridin-3-ylpropanenitrile?
The InChIKey is CMZRGVHYUPRMFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClFN3/c1-14(9-17,10-3-2-6-18-8-10)19-11-4-5-13(16)12(15)7-11/h2-8,19H,1H3.
What are the key properties of 2-(3-chloro-4-fluoroanilino)-2-pyridin-3-ylpropanenitrile?
2-(3-chloro-4-fluoroanilino)-2-pyridin-3-ylpropanenitrile has a molecular weight of 275.71 g/mol, XLogP of 3.72, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-fluoroanilino)-2-pyridin-3-ylpropanenitrile is sourced from PubChem (CID 13488696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).