2,5-dichloro-6-ethylpyridine-3-carbonitrile

C8H6Cl2N2 — CID 14211647

IUPAC2,5-dichloro-6-ethylpyridine-3-carbonitrile
SMILESCCc1nc(Cl)c(C#N)cc1Cl
InChIInChI=1S/C8H6Cl2N2/c1-2-7-6(9)3-5(4-11)8(10)12-7/h3H,2H2,1H3
InChIKeyXGZXCAVMKPLDPM-UHFFFAOYSA-N
MW201.06 g/mol
LogP2.82
Rot. Bonds1

About 2,5-dichloro-6-ethylpyridine-3-carbonitrile

2,5-dichloro-6-ethylpyridine-3-carbonitrile (PubChem CID 14211647) has the molecular formula C8H6Cl2N2 and a molecular weight of 201.06 g/mol. Its IUPAC name is 2,5-dichloro-6-ethylpyridine-3-carbonitrile.

Molecular Properties

Compound Name2,5-dichloro-6-ethylpyridine-3-carbonitrile
PubChem CID14211647
Molecular FormulaC8H6Cl2N2
Molecular Weight201.06 g/mol
Exact Mass199.99
IUPAC Name2,5-dichloro-6-ethylpyridine-3-carbonitrile
SMILESCCc1nc(Cl)c(C#N)cc1Cl
InChIInChI=1S/C8H6Cl2N2/c1-2-7-6(9)3-5(4-11)8(10)12-7/h3H,2H2,1H3
InChIKeyXGZXCAVMKPLDPM-UHFFFAOYSA-N
XLogP2.82
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.06
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-5-methyl-6-propylpyridine-3-carbonitrile
CID 112757206
2-chloro-5,6-dimethylpyridine-3-carbonitrile
CID 12891106
2-chloro-5-ethylpyridine-3-carbonitrile
CID 14569539
2-chloro-6-(chloromethyl)-5-(difluoromethyl)pyridine-3-carbonitrile
CID 119021941
5-chloro-2-(ethylamino)-6-methylpyridine-3-carbonitrile
CID 155040649
3-chloro-1-ethyl-5,6,7,8,9,10-hexahydrocycloocta[c]pyridine-4-carbonitrile
CID 97181778
5-acetyl-2,6-dichloropyridine-3-carbonitrile
CID 167702733
2-(4-chloro-2-cyano-5-ethylphenyl)acetic acid
CID 118811192
6-tert-butyl-2-chloro-5-iodopyridine-3-carbonitrile
CID 121251135
5-chloro-6-ethyl-2-oxo-1H-pyridine-3-carbonitrile
CID 14211659
2-chloro-6-ethoxypyridine-3-carbonitrile
CID 14687435
(6-chloro-5-cyano-2-pyridinyl) ethanesulfonate
CID 174986490

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-6-ethylpyridine-3-carbonitrile?
The IUPAC name of 2,5-dichloro-6-ethylpyridine-3-carbonitrile (CID 14211647) is 2,5-dichloro-6-ethylpyridine-3-carbonitrile.
What is the SMILES notation for 2,5-dichloro-6-ethylpyridine-3-carbonitrile?
The canonical SMILES for 2,5-dichloro-6-ethylpyridine-3-carbonitrile is CCc1nc(Cl)c(C#N)cc1Cl.
What is the InChIKey of 2,5-dichloro-6-ethylpyridine-3-carbonitrile?
The InChIKey is XGZXCAVMKPLDPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6Cl2N2/c1-2-7-6(9)3-5(4-11)8(10)12-7/h3H,2H2,1H3.
What are the key properties of 2,5-dichloro-6-ethylpyridine-3-carbonitrile?
2,5-dichloro-6-ethylpyridine-3-carbonitrile has a molecular weight of 201.06 g/mol, XLogP of 2.82, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-6-ethylpyridine-3-carbonitrile is sourced from PubChem (CID 14211647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).