3,4-dichloro-2-prop-1-en-2-ylpyridine

C8H7Cl2N — CID 19901328

IUPAC3,4-dichloro-2-prop-1-en-2-ylpyridine
SMILESC=C(C)c1nccc(Cl)c1Cl
InChIInChI=1S/C8H7Cl2N/c1-5(2)8-7(10)6(9)3-4-11-8/h3-4H,1H2,2H3
InChIKeyMCLQELYAAZXKSV-UHFFFAOYSA-N
MW188.06 g/mol
LogP3.42
Rot. Bonds1

About 3,4-dichloro-2-prop-1-en-2-ylpyridine

3,4-dichloro-2-prop-1-en-2-ylpyridine (PubChem CID 19901328) has the molecular formula C8H7Cl2N and a molecular weight of 188.06 g/mol. Its IUPAC name is 3,4-dichloro-2-prop-1-en-2-ylpyridine.

Molecular Properties

Compound Name3,4-dichloro-2-prop-1-en-2-ylpyridine
PubChem CID19901328
Molecular FormulaC8H7Cl2N
Molecular Weight188.06 g/mol
Exact Mass187.00
IUPAC Name3,4-dichloro-2-prop-1-en-2-ylpyridine
SMILESC=C(C)c1nccc(Cl)c1Cl
InChIInChI=1S/C8H7Cl2N/c1-5(2)8-7(10)6(9)3-4-11-8/h3-4H,1H2,2H3
InChIKeyMCLQELYAAZXKSV-UHFFFAOYSA-N
XLogP3.42
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.06
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3,4-dichloro-2-prop-1-en-2-ylpyridine?
The IUPAC name of 3,4-dichloro-2-prop-1-en-2-ylpyridine (CID 19901328) is 3,4-dichloro-2-prop-1-en-2-ylpyridine.
What is the SMILES notation for 3,4-dichloro-2-prop-1-en-2-ylpyridine?
The canonical SMILES for 3,4-dichloro-2-prop-1-en-2-ylpyridine is C=C(C)c1nccc(Cl)c1Cl.
What is the InChIKey of 3,4-dichloro-2-prop-1-en-2-ylpyridine?
The InChIKey is MCLQELYAAZXKSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7Cl2N/c1-5(2)8-7(10)6(9)3-4-11-8/h3-4H,1H2,2H3.
What are the key properties of 3,4-dichloro-2-prop-1-en-2-ylpyridine?
3,4-dichloro-2-prop-1-en-2-ylpyridine has a molecular weight of 188.06 g/mol, XLogP of 3.42, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dichloro-2-prop-1-en-2-ylpyridine is sourced from PubChem (CID 19901328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).