(6-chloro-5-cyano-2-pyridinyl) propanoate

C9H7ClN2O2 — CID 175203357

IUPAC(6-chloro-5-cyano-2-pyridinyl) propanoate
SMILESCCC(=O)Oc1ccc(C#N)c(Cl)n1
InChIInChI=1S/C9H7ClN2O2/c1-2-8(13)14-7-4-3-6(5-11)9(10)12-7/h3-4H,2H2,1H3
InChIKeyKKJNOISWIKJUHT-UHFFFAOYSA-N
MW210.62 g/mol
LogP1.92
Rot. Bonds2

About (6-chloro-5-cyano-2-pyridinyl) propanoate

(6-chloro-5-cyano-2-pyridinyl) propanoate (PubChem CID 175203357) has the molecular formula C9H7ClN2O2 and a molecular weight of 210.62 g/mol. Its IUPAC name is (6-chloro-5-cyano-2-pyridinyl) propanoate.

Molecular Properties

Compound Name(6-chloro-5-cyano-2-pyridinyl) propanoate
PubChem CID175203357
Molecular FormulaC9H7ClN2O2
Molecular Weight210.62 g/mol
Exact Mass210.02
IUPAC Name(6-chloro-5-cyano-2-pyridinyl) propanoate
SMILESCCC(=O)Oc1ccc(C#N)c(Cl)n1
InChIInChI=1S/C9H7ClN2O2/c1-2-8(13)14-7-4-3-6(5-11)9(10)12-7/h3-4H,2H2,1H3
InChIKeyKKJNOISWIKJUHT-UHFFFAOYSA-N
XLogP1.92
TPSA62.98 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.62
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-chloro-6-ethoxypyridine-3-carbonitrile
CID 14687435
(6-chloro-5-cyano-2-pyridinyl) ethanesulfonate
CID 174986490
(5-cyano-6-ethyl-2-pyridinyl) carbamate
CID 175129817
2-chloro-6-(2-cyano-3-oxobutyl)pyridine-3-carbonitrile
CID 139369544
2-chloro-6-(2-ethylphenyl)pyridine-3-carbonitrile
CID 84703537
6-[amino(ethyl)amino]-2-chloropyridine-3-carbonitrile
CID 131970588
2-chloro-6-(methylamino)pyridine-3-carbonitrile
CID 119017816
(6-benzoyloxy-3-cyano-2-pyridinyl) 4-methylbenzoate
CID 54430251
ethyl 2-[(3-cyano-6-methyl-2-pyridinyl)sulfanyl]acetate
CID 5058723
2,6-dichloro-N-[[4-[(6-chloro-5-cyano-2-pyridinyl)oxy]-3,5-dimethylphenyl]carbamoyl]benzamide
CID 19072913
(5-propyl-2-pyridinyl) propanoate
CID 146561214
methyl 2-[6-chloro-5-cyano-2-(difluoromethyl)-3-pyridinyl]acetate
CID 134685308

Frequently Asked Questions

What is the IUPAC name of (6-chloro-5-cyano-2-pyridinyl) propanoate?
The IUPAC name of (6-chloro-5-cyano-2-pyridinyl) propanoate (CID 175203357) is (6-chloro-5-cyano-2-pyridinyl) propanoate.
What is the SMILES notation for (6-chloro-5-cyano-2-pyridinyl) propanoate?
The canonical SMILES for (6-chloro-5-cyano-2-pyridinyl) propanoate is CCC(=O)Oc1ccc(C#N)c(Cl)n1.
What is the InChIKey of (6-chloro-5-cyano-2-pyridinyl) propanoate?
The InChIKey is KKJNOISWIKJUHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClN2O2/c1-2-8(13)14-7-4-3-6(5-11)9(10)12-7/h3-4H,2H2,1H3.
What are the key properties of (6-chloro-5-cyano-2-pyridinyl) propanoate?
(6-chloro-5-cyano-2-pyridinyl) propanoate has a molecular weight of 210.62 g/mol, XLogP of 1.92, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6-chloro-5-cyano-2-pyridinyl) propanoate is sourced from PubChem (CID 175203357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).