3-chloro-2-(2-hydroxyethoxy)pyridine-4-carbonitrile

C8H7ClN2O2 — CID 107058885

IUPAC3-chloro-2-(2-hydroxyethoxy)pyridine-4-carbonitrile
SMILESN#Cc1ccnc(OCCO)c1Cl
InChIInChI=1S/C8H7ClN2O2/c9-7-6(5-10)1-2-11-8(7)13-4-3-12/h1-2,12H,3-4H2
InChIKeyDUJCNUAQHKOOCQ-UHFFFAOYSA-N
MW198.61 g/mol
LogP0.98
Rot. Bonds3

About 3-chloro-2-(2-hydroxyethoxy)pyridine-4-carbonitrile

3-chloro-2-(2-hydroxyethoxy)pyridine-4-carbonitrile (PubChem CID 107058885) has the molecular formula C8H7ClN2O2 and a molecular weight of 198.61 g/mol. Its IUPAC name is 3-chloro-2-(2-hydroxyethoxy)pyridine-4-carbonitrile.

Molecular Properties

Compound Name3-chloro-2-(2-hydroxyethoxy)pyridine-4-carbonitrile
PubChem CID107058885
Molecular FormulaC8H7ClN2O2
Molecular Weight198.61 g/mol
Exact Mass198.02
IUPAC Name3-chloro-2-(2-hydroxyethoxy)pyridine-4-carbonitrile
SMILESN#Cc1ccnc(OCCO)c1Cl
InChIInChI=1S/C8H7ClN2O2/c9-7-6(5-10)1-2-11-8(7)13-4-3-12/h1-2,12H,3-4H2
InChIKeyDUJCNUAQHKOOCQ-UHFFFAOYSA-N
XLogP0.98
TPSA66.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.61
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-aminopropoxy)-3-chloropyridine-4-carbonitrile
CID 107061653
3-chloro-2-(2-methoxyethoxy)pyridine-4-carbonitrile
CID 107058776
3-chloro-2-(3-methoxy-3-methylbutoxy)pyridine-4-carbonitrile
CID 107059221
3-chloro-2-[2-[di(propan-2-yl)amino]ethoxy]pyridine-4-carbonitrile
CID 107059128
3-chloro-2-[2-(dimethylamino)-2-methylpropoxy]pyridine-4-carbonitrile
CID 107059108
3-chloro-2-(piperidin-4-ylmethoxy)pyridine-4-carbonitrile
CID 107061650
3-chloro-2-(furan-2-ylmethoxy)pyridine-4-carbonitrile
CID 107058734
3-chloro-2-(2-hydroxyethoxy)pyridine-4-carboxylic acid
CID 107063382
2-(2-amino-2-methylbutoxy)-3-chloropyridine-4-carbonitrile
CID 107061678
3-chloro-2-(2-methylbutan-2-yloxy)pyridine-4-carbonitrile
CID 107058917
3-chloro-2-(2-propoxyphenoxy)pyridine-4-carbonitrile
CID 107058762
3-chloro-2-(4-methylpentan-2-yloxy)pyridine-4-carbonitrile
CID 107058766

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-(2-hydroxyethoxy)pyridine-4-carbonitrile?
The IUPAC name of 3-chloro-2-(2-hydroxyethoxy)pyridine-4-carbonitrile (CID 107058885) is 3-chloro-2-(2-hydroxyethoxy)pyridine-4-carbonitrile.
What is the SMILES notation for 3-chloro-2-(2-hydroxyethoxy)pyridine-4-carbonitrile?
The canonical SMILES for 3-chloro-2-(2-hydroxyethoxy)pyridine-4-carbonitrile is N#Cc1ccnc(OCCO)c1Cl.
What is the InChIKey of 3-chloro-2-(2-hydroxyethoxy)pyridine-4-carbonitrile?
The InChIKey is DUJCNUAQHKOOCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClN2O2/c9-7-6(5-10)1-2-11-8(7)13-4-3-12/h1-2,12H,3-4H2.
What are the key properties of 3-chloro-2-(2-hydroxyethoxy)pyridine-4-carbonitrile?
3-chloro-2-(2-hydroxyethoxy)pyridine-4-carbonitrile has a molecular weight of 198.61 g/mol, XLogP of 0.98, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-(2-hydroxyethoxy)pyridine-4-carbonitrile is sourced from PubChem (CID 107058885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).