2-chloro-4-ethylpyridine-3,5-dicarbonitrile

C9H6ClN3 — CID 151362534

IUPAC2-chloro-4-ethylpyridine-3,5-dicarbonitrile
SMILESCCc1c(C#N)cnc(Cl)c1C#N
InChIInChI=1S/C9H6ClN3/c1-2-7-6(3-11)5-13-9(10)8(7)4-12/h5H,2H2,1H3
InChIKeyOOTMWQPNMUKOMY-UHFFFAOYSA-N
MW191.62 g/mol
LogP2.04
Rot. Bonds1

About 2-chloro-4-ethylpyridine-3,5-dicarbonitrile

2-chloro-4-ethylpyridine-3,5-dicarbonitrile (PubChem CID 151362534) has the molecular formula C9H6ClN3 and a molecular weight of 191.62 g/mol. Its IUPAC name is 2-chloro-4-ethylpyridine-3,5-dicarbonitrile.

Molecular Properties

Compound Name2-chloro-4-ethylpyridine-3,5-dicarbonitrile
PubChem CID151362534
Molecular FormulaC9H6ClN3
Molecular Weight191.62 g/mol
Exact Mass191.03
IUPAC Name2-chloro-4-ethylpyridine-3,5-dicarbonitrile
SMILESCCc1c(C#N)cnc(Cl)c1C#N
InChIInChI=1S/C9H6ClN3/c1-2-7-6(3-11)5-13-9(10)8(7)4-12/h5H,2H2,1H3
InChIKeyOOTMWQPNMUKOMY-UHFFFAOYSA-N
XLogP2.04
TPSA60.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.62
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-5-ethylpyridine-3-carbonitrile
CID 14569539
2-(4-aminopiperidin-1-yl)-4-ethylpyridine-3,5-dicarbonitrile
CID 150377558
7-ethyl-[1,3]thiazolo[4,5-b]pyridine-6-carbonitrile
CID 58612187
ethyl 2-[2-chloro-5-cyano-3-(difluoromethyl)-4-pyridinyl]acetate
CID 134676476
2-butyl-4-chloropyrimidine-5-carbonitrile
CID 19792000
3-chloro-6,7-dihydro-5H-cyclopenta[c]pyridine-4-carbonitrile
CID 13481189
2-chloro-4-(ethylamino)pyrimidine-5-carbonitrile
CID 22390612
4-amino-6-chloro-5-[(Z)-hex-4-en-2-yl]pyridine-3-carbonitrile
CID 149200871
1-chloro-6,7-dimethoxyisoquinoline-4-carbonitrile
CID 87574214
2,5-dichloro-6-ethylpyridine-3-carbonitrile
CID 14211647
2-chloro-5-(4-ethoxyphenyl)pyridine-3-carbonitrile
CID 72711592
4-chloro-2-(methylsulfonylmethyl)pyrimidine-5-carbonitrile
CID 130540979

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-ethylpyridine-3,5-dicarbonitrile?
The IUPAC name of 2-chloro-4-ethylpyridine-3,5-dicarbonitrile (CID 151362534) is 2-chloro-4-ethylpyridine-3,5-dicarbonitrile.
What is the SMILES notation for 2-chloro-4-ethylpyridine-3,5-dicarbonitrile?
The canonical SMILES for 2-chloro-4-ethylpyridine-3,5-dicarbonitrile is CCc1c(C#N)cnc(Cl)c1C#N.
What is the InChIKey of 2-chloro-4-ethylpyridine-3,5-dicarbonitrile?
The InChIKey is OOTMWQPNMUKOMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6ClN3/c1-2-7-6(3-11)5-13-9(10)8(7)4-12/h5H,2H2,1H3.
What are the key properties of 2-chloro-4-ethylpyridine-3,5-dicarbonitrile?
2-chloro-4-ethylpyridine-3,5-dicarbonitrile has a molecular weight of 191.62 g/mol, XLogP of 2.04, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-ethylpyridine-3,5-dicarbonitrile is sourced from PubChem (CID 151362534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).