2-(3-chloro-5-hydroxy-4-pyridinyl)acetonitrile

C7H5ClN2O — CID 131117865

IUPAC2-(3-chloro-5-hydroxy-4-pyridinyl)acetonitrile
SMILESN#CCc1c(O)cncc1Cl
InChIInChI=1S/C7H5ClN2O/c8-6-3-10-4-7(11)5(6)1-2-9/h3-4,11H,1H2
InChIKeyDPBNJGUPDQKJKR-UHFFFAOYSA-N
MW168.58 g/mol
LogP1.51
Rot. Bonds1

About 2-(3-chloro-5-hydroxy-4-pyridinyl)acetonitrile

2-(3-chloro-5-hydroxy-4-pyridinyl)acetonitrile (PubChem CID 131117865) has the molecular formula C7H5ClN2O and a molecular weight of 168.58 g/mol. Its IUPAC name is 2-(3-chloro-5-hydroxy-4-pyridinyl)acetonitrile.

Molecular Properties

Compound Name2-(3-chloro-5-hydroxy-4-pyridinyl)acetonitrile
PubChem CID131117865
Molecular FormulaC7H5ClN2O
Molecular Weight168.58 g/mol
Exact Mass168.01
IUPAC Name2-(3-chloro-5-hydroxy-4-pyridinyl)acetonitrile
SMILESN#CCc1c(O)cncc1Cl
InChIInChI=1S/C7H5ClN2O/c8-6-3-10-4-7(11)5(6)1-2-9/h3-4,11H,1H2
InChIKeyDPBNJGUPDQKJKR-UHFFFAOYSA-N
XLogP1.51
TPSA56.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.58
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-chloro-5-(difluoromethyl)-4-pyridinyl]acetonitrile
CID 130095597
2-[3-chloro-2-(difluoromethyl)-5-hydroxy-4-pyridinyl]acetonitrile
CID 130072557
2-[3-chloro-5-(3-fluorophenyl)-4-pyridinyl]acetonitrile
CID 131869874
2-(3-chloro-2-fluoro-6-hydroxyphenyl)acetonitrile
CID 84769845
2-[4-(difluoromethyl)-5-hydroxy-3-pyridinyl]acetonitrile
CID 118851957
3,5-dichloro-4-(chloromethyl)pyridine
CID 22626853
2-(2-fluoro-6-hydroxy-4-methylphenyl)acetonitrile
CID 171021297
2-(2-chloro-6-hydroxy-3-methylphenyl)acetonitrile
CID 84768638
2-[3-(2,5-dichlorophenyl)-5-fluoro-4-pyridinyl]acetonitrile
CID 133094533
4-(3,5-dichloro-4-pyridinyl)-3,4-dihydroxybutanenitrile
CID 171900710
2-[3-amino-5-chloro-2-(difluoromethyl)-4-pyridinyl]acetonitrile
CID 130102804
2-(2,6-dichloro-4-methylphenyl)acetonitrile
CID 119013215

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-5-hydroxy-4-pyridinyl)acetonitrile?
The IUPAC name of 2-(3-chloro-5-hydroxy-4-pyridinyl)acetonitrile (CID 131117865) is 2-(3-chloro-5-hydroxy-4-pyridinyl)acetonitrile.
What is the SMILES notation for 2-(3-chloro-5-hydroxy-4-pyridinyl)acetonitrile?
The canonical SMILES for 2-(3-chloro-5-hydroxy-4-pyridinyl)acetonitrile is N#CCc1c(O)cncc1Cl.
What is the InChIKey of 2-(3-chloro-5-hydroxy-4-pyridinyl)acetonitrile?
The InChIKey is DPBNJGUPDQKJKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5ClN2O/c8-6-3-10-4-7(11)5(6)1-2-9/h3-4,11H,1H2.
What are the key properties of 2-(3-chloro-5-hydroxy-4-pyridinyl)acetonitrile?
2-(3-chloro-5-hydroxy-4-pyridinyl)acetonitrile has a molecular weight of 168.58 g/mol, XLogP of 1.51, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-5-hydroxy-4-pyridinyl)acetonitrile is sourced from PubChem (CID 131117865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).