2-[3-chloro-2-(difluoromethyl)-5-hydroxy-4-pyridinyl]acetonitrile

C8H5ClF2N2O — CID 130072557

IUPAC2-[3-chloro-2-(difluoromethyl)-5-hydroxy-4-pyridinyl]acetonitrile
SMILESN#CCc1c(O)cnc(C(F)F)c1Cl
InChIInChI=1S/C8H5ClF2N2O/c9-6-4(1-2-12)5(14)3-13-7(6)8(10)11/h3,8,14H,1H2
InChIKeyCDLVUKOHXPKDOY-UHFFFAOYSA-N
MW218.59 g/mol
LogP2.44
Rot. Bonds2

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

2-[3-chloro-2-(difluoromethyl)-5-hydroxy-4-pyridinyl]acetonitrile (PubChem CID 130072557) has the molecular formula C8H5ClF2N2O and a molecular weight of 218.59 g/mol. Its IUPAC name is 2-[3-chloro-2-(difluoromethyl)-5-hydroxy-4-pyridinyl]acetonitrile.

Molecular Properties

Compound Name2-[3-chloro-2-(difluoromethyl)-5-hydroxy-4-pyridinyl]acetonitrile
PubChem CID130072557
Molecular FormulaC8H5ClF2N2O
Molecular Weight218.59 g/mol
Exact Mass218.01
IUPAC Name2-[3-chloro-2-(difluoromethyl)-5-hydroxy-4-pyridinyl]acetonitrile
SMILESN#CCc1c(O)cnc(C(F)F)c1Cl
InChIInChI=1S/C8H5ClF2N2O/c9-6-4(1-2-12)5(14)3-13-7(6)8(10)11/h3,8,14H,1H2
InChIKeyCDLVUKOHXPKDOY-UHFFFAOYSA-N
XLogP2.44
TPSA56.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.59
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(difluoromethyl)-5-hydroxy-3-(trifluoromethyl)-4-pyridinyl]acetonitrile
CID 118814850
2-[4,5-dichloro-6-(difluoromethyl)-3-pyridinyl]acetonitrile
CID 130099368
2-[3-chloro-2-(difluoromethyl)-5-methoxy-4-pyridinyl]acetonitrile
CID 134684682
3-chloro-2-(difluoromethyl)-5-hydroxypyridine-4-carbonitrile
CID 130070938
2-[3-amino-5-chloro-2-(difluoromethyl)-4-pyridinyl]acetonitrile
CID 130102804
4-(chloromethyl)-6-(difluoromethyl)-5-iodopyridin-3-ol
CID 130082698
2-[4-bromo-5-(chloromethyl)-2-(difluoromethyl)-3-pyridinyl]acetonitrile
CID 130070567
2-[4-(difluoromethyl)-5-hydroxy-2-(trifluoromethyl)-3-pyridinyl]acetonitrile
CID 118851080
4-chloro-6-(difluoromethyl)-5-methylpyridin-3-ol
CID 130072333
2-(3-chloro-5-hydroxy-4-pyridinyl)acetonitrile
CID 131117865
2-[5-bromo-2-(difluoromethyl)-3-methyl-4-pyridinyl]acetonitrile
CID 130069325
2-[2-(difluoromethyl)-3-iodo-5-(trifluoromethyl)-4-pyridinyl]acetonitrile
CID 118843000

Frequently Asked Questions

What is the IUPAC name of 2-[3-chloro-2-(difluoromethyl)-5-hydroxy-4-pyridinyl]acetonitrile?
The IUPAC name of 2-[3-chloro-2-(difluoromethyl)-5-hydroxy-4-pyridinyl]acetonitrile (CID 130072557) is 2-[3-chloro-2-(difluoromethyl)-5-hydroxy-4-pyridinyl]acetonitrile.
What is the SMILES notation for 2-[3-chloro-2-(difluoromethyl)-5-hydroxy-4-pyridinyl]acetonitrile?
The canonical SMILES for 2-[3-chloro-2-(difluoromethyl)-5-hydroxy-4-pyridinyl]acetonitrile is N#CCc1c(O)cnc(C(F)F)c1Cl.
What is the InChIKey of 2-[3-chloro-2-(difluoromethyl)-5-hydroxy-4-pyridinyl]acetonitrile?
The InChIKey is CDLVUKOHXPKDOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5ClF2N2O/c9-6-4(1-2-12)5(14)3-13-7(6)8(10)11/h3,8,14H,1H2.
What are the key properties of 2-[3-chloro-2-(difluoromethyl)-5-hydroxy-4-pyridinyl]acetonitrile?
2-[3-chloro-2-(difluoromethyl)-5-hydroxy-4-pyridinyl]acetonitrile has a molecular weight of 218.59 g/mol, XLogP of 2.44, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-chloro-2-(difluoromethyl)-5-hydroxy-4-pyridinyl]acetonitrile is sourced from PubChem (CID 130072557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).