4-chloro-2-[[(2R)-2-hydroxypropyl]amino]benzonitrile

C10H11ClN2O — CID 95011182

IUPAC4-chloro-2-[[(2R)-2-hydroxypropyl]amino]benzonitrile
SMILESC[C@@H](O)CNc1cc(Cl)ccc1C#N
InChIInChI=1S/C10H11ClN2O/c1-7(14)6-13-10-4-9(11)3-2-8(10)5-12/h2-4,7,13-14H,6H2,1H3/t7-/m1/s1
InChIKeyRZZWYNWTYQEIJA-SSDOTTSWSA-N
MW210.66 g/mol
LogP2.00
Rot. Bonds3

About 4-chloro-2-[[(2R)-2-hydroxypropyl]amino]benzonitrile

4-chloro-2-[[(2R)-2-hydroxypropyl]amino]benzonitrile (PubChem CID 95011182) has the molecular formula C10H11ClN2O and a molecular weight of 210.66 g/mol. Its IUPAC name is 4-chloro-2-[[(2R)-2-hydroxypropyl]amino]benzonitrile.

Molecular Properties

Compound Name4-chloro-2-[[(2R)-2-hydroxypropyl]amino]benzonitrile
PubChem CID95011182
Molecular FormulaC10H11ClN2O
Molecular Weight210.66 g/mol
Exact Mass210.06
IUPAC Name4-chloro-2-[[(2R)-2-hydroxypropyl]amino]benzonitrile
SMILESC[C@@H](O)CNc1cc(Cl)ccc1C#N
InChIInChI=1S/C10H11ClN2O/c1-7(14)6-13-10-4-9(11)3-2-8(10)5-12/h2-4,7,13-14H,6H2,1H3/t7-/m1/s1
InChIKeyRZZWYNWTYQEIJA-SSDOTTSWSA-N
XLogP2.00
TPSA56.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.66
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-2-(2-hydroxypropylamino)benzonitrile
CID 62493477
4-chloro-2-[(2-hydroxy-4-methylpentyl)amino]benzonitrile
CID 113238789
4-chloro-2-(4-hydroxypentylamino)benzonitrile
CID 107269208
3-(5-chloro-2-cyanoanilino)-2-hydroxypropanamide
CID 106170864
4-chloro-2-[(2-hydroxy-2-thiophen-2-ylethyl)amino]benzonitrile
CID 64689295
4-chloro-2-[[3-(2-ethoxyethoxy)-2-hydroxypropyl]amino]benzonitrile
CID 64918343
(2R)-1-(2-bromo-5-chloroanilino)propan-2-ol
CID 106932356
1-(2-bromo-5-chloroanilino)propan-2-ol
CID 81281043
4-chloro-2-[(2-hydroxy-3-pyrrolidin-1-ylpropyl)amino]benzonitrile
CID 64919645
4-(5-chloro-2-cyanoanilino)-2-methylbutanoic acid
CID 80540426
2-(5-chloro-2-cyanoanilino)acetic acid
CID 63081728
2-(2-hydroxypropylamino)-5-methylbenzonitrile
CID 107931244

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[[(2R)-2-hydroxypropyl]amino]benzonitrile?
The IUPAC name of 4-chloro-2-[[(2R)-2-hydroxypropyl]amino]benzonitrile (CID 95011182) is 4-chloro-2-[[(2R)-2-hydroxypropyl]amino]benzonitrile.
What is the SMILES notation for 4-chloro-2-[[(2R)-2-hydroxypropyl]amino]benzonitrile?
The canonical SMILES for 4-chloro-2-[[(2R)-2-hydroxypropyl]amino]benzonitrile is C[C@@H](O)CNc1cc(Cl)ccc1C#N.
What is the InChIKey of 4-chloro-2-[[(2R)-2-hydroxypropyl]amino]benzonitrile?
The InChIKey is RZZWYNWTYQEIJA-SSDOTTSWSA-N. The full InChI is InChI=1S/C10H11ClN2O/c1-7(14)6-13-10-4-9(11)3-2-8(10)5-12/h2-4,7,13-14H,6H2,1H3/t7-/m1/s1.
What are the key properties of 4-chloro-2-[[(2R)-2-hydroxypropyl]amino]benzonitrile?
4-chloro-2-[[(2R)-2-hydroxypropyl]amino]benzonitrile has a molecular weight of 210.66 g/mol, XLogP of 2.00, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[[(2R)-2-hydroxypropyl]amino]benzonitrile is sourced from PubChem (CID 95011182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).