(2R)-2-(4-chloroanilino)-2-pyridin-3-ylpropanenitrile

C14H12ClN3 — CID 825086

IUPAC(2R)-2-(4-chloroanilino)-2-pyridin-3-ylpropanenitrile
SMILESC[C@@](C#N)(Nc1ccc(Cl)cc1)c1cccnc1
InChIInChI=1S/C14H12ClN3/c1-14(10-16,11-3-2-8-17-9-11)18-13-6-4-12(15)5-7-13/h2-9,18H,1H3/t14-/m0/s1
InChIKeyYEOUXKVULIAPOZ-AWEZNQCLSA-N
MW257.72 g/mol
LogP3.59
Rot. Bonds3

About (2R)-2-(4-chloroanilino)-2-pyridin-3-ylpropanenitrile

(2R)-2-(4-chloroanilino)-2-pyridin-3-ylpropanenitrile (PubChem CID 825086) has the molecular formula C14H12ClN3 and a molecular weight of 257.72 g/mol. Its IUPAC name is (2R)-2-(4-chloroanilino)-2-pyridin-3-ylpropanenitrile.

Molecular Properties

Compound Name(2R)-2-(4-chloroanilino)-2-pyridin-3-ylpropanenitrile
PubChem CID825086
Molecular FormulaC14H12ClN3
Molecular Weight257.72 g/mol
Exact Mass257.07
IUPAC Name(2R)-2-(4-chloroanilino)-2-pyridin-3-ylpropanenitrile
SMILESC[C@@](C#N)(Nc1ccc(Cl)cc1)c1cccnc1
InChIInChI=1S/C14H12ClN3/c1-14(10-16,11-3-2-8-17-9-11)18-13-6-4-12(15)5-7-13/h2-9,18H,1H3/t14-/m0/s1
InChIKeyYEOUXKVULIAPOZ-AWEZNQCLSA-N
XLogP3.59
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.72
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-chloro-4-fluoroanilino)-2-pyridin-3-ylpropanenitrile
CID 13488696
2-(4-chloroanilino)-2-methylpropanenitrile
CID 60719830
2-(4-methylanilino)-2-pyridin-3-ylpropan-1-ol
CID 61045318
N-[4-[(4-chlorophenyl)-hydroxy-pyridin-3-ylmethyl]phenyl]methanesulfonamide
CID 56676124
2-(4-chloroanilino)-3,3,3-trifluoro-2-methylpropanenitrile
CID 106523230
(4-chlorophenyl)-(2-methylphenyl)-pyridin-3-ylmethanol
CID 56672766
2-(4-chloroanilino)-2-cyclohexylpropanenitrile
CID 54886371
N-(1-isocyano-1-pyridin-3-ylethyl)aniline
CID 59188182
3-hydroxy-3-pyridin-3-ylbutanenitrile
CID 165356102
2-propyl-2-pyridin-3-ylpentanenitrile
CID 80522522
2-(4-fluoroanilino)-2-pyridin-3-ylpropanoic acid
CID 60991839
2-(4-bromoanilino)-2-pyridin-3-ylpropanoic acid
CID 60993841

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-chloroanilino)-2-pyridin-3-ylpropanenitrile?
The IUPAC name of (2R)-2-(4-chloroanilino)-2-pyridin-3-ylpropanenitrile (CID 825086) is (2R)-2-(4-chloroanilino)-2-pyridin-3-ylpropanenitrile.
What is the SMILES notation for (2R)-2-(4-chloroanilino)-2-pyridin-3-ylpropanenitrile?
The canonical SMILES for (2R)-2-(4-chloroanilino)-2-pyridin-3-ylpropanenitrile is C[C@@](C#N)(Nc1ccc(Cl)cc1)c1cccnc1.
What is the InChIKey of (2R)-2-(4-chloroanilino)-2-pyridin-3-ylpropanenitrile?
The InChIKey is YEOUXKVULIAPOZ-AWEZNQCLSA-N. The full InChI is InChI=1S/C14H12ClN3/c1-14(10-16,11-3-2-8-17-9-11)18-13-6-4-12(15)5-7-13/h2-9,18H,1H3/t14-/m0/s1.
What are the key properties of (2R)-2-(4-chloroanilino)-2-pyridin-3-ylpropanenitrile?
(2R)-2-(4-chloroanilino)-2-pyridin-3-ylpropanenitrile has a molecular weight of 257.72 g/mol, XLogP of 3.59, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4-chloroanilino)-2-pyridin-3-ylpropanenitrile is sourced from PubChem (CID 825086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).