2,6-dichloro-4-(1-propan-2-ylpyrazol-4-yl)pyridine

C11H11Cl2N3 — CID 86659391

IUPAC2,6-dichloro-4-(1-propan-2-ylpyrazol-4-yl)pyridine
SMILESCC(C)n1cc(-c2cc(Cl)nc(Cl)c2)cn1
InChIInChI=1S/C11H11Cl2N3/c1-7(2)16-6-9(5-14-16)8-3-10(12)15-11(13)4-8/h3-7H,1-2H3
InChIKeyCBFCHYFBCMJODW-UHFFFAOYSA-N
MW256.14 g/mol
LogP3.83
Rot. Bonds2

About 2,6-dichloro-4-(1-propan-2-ylpyrazol-4-yl)pyridine

2,6-dichloro-4-(1-propan-2-ylpyrazol-4-yl)pyridine (PubChem CID 86659391) has the molecular formula C11H11Cl2N3 and a molecular weight of 256.14 g/mol. Its IUPAC name is 2,6-dichloro-4-(1-propan-2-ylpyrazol-4-yl)pyridine.

Molecular Properties

Compound Name2,6-dichloro-4-(1-propan-2-ylpyrazol-4-yl)pyridine
PubChem CID86659391
Molecular FormulaC11H11Cl2N3
Molecular Weight256.14 g/mol
Exact Mass255.03
IUPAC Name2,6-dichloro-4-(1-propan-2-ylpyrazol-4-yl)pyridine
SMILESCC(C)n1cc(-c2cc(Cl)nc(Cl)c2)cn1
InChIInChI=1S/C11H11Cl2N3/c1-7(2)16-6-9(5-14-16)8-3-10(12)15-11(13)4-8/h3-7H,1-2H3
InChIKeyCBFCHYFBCMJODW-UHFFFAOYSA-N
XLogP3.83
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.14
LogP ≤ 53.83
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-(1-methyl-2-pyrrolidinyl)pyridine
CID 10262111
4-{1-[(2,4-dichlorophenyl)methyl]-1H-pyrazol-4-yl}pyridine
CID 4450788
3-Chloro-6-(pyridin-3-yl)pyridazine
CID 16732435
2-chloro-5-[(3,5-dimethyl-1H-pyrazol-1-yl)methyl]pyridine
CID 3729981
2-Chloro-5-(pyrrolidin-1-ylmethyl)pyridine
CID 9964356
2-chloro-5-(1H-pyrazol-1-ylmethyl)pyridine
CID 1473523
3-(1-Methyl-2-pyrrolidinyl)-2-chloropyridine
CID 21621602
2-chloro-5-((2S)-1-methylpyrrolidin-2-yl)pyridine
CID 10631771
1-[3-(3-chlorophenyl)-1-methyl-1H-pyrazol-4-yl]-N-methyl-N-[(3-methylpyridin-4-yl)methyl]methanamine
CID 16187592
1-[3-(3-chlorophenyl)-1-methyl-1H-pyrazol-4-yl]-N-methyl-N-(pyridin-3-ylmethyl)methanamine
CID 16192055
3-(1-Benzyl-1H-pyrazol-4-yl)pyridine
CID 42628230
N-(2-chloropyrrol-1-yl)-N-methylpyridin-4-amine
CID 10536326

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-4-(1-propan-2-ylpyrazol-4-yl)pyridine?
The IUPAC name of 2,6-dichloro-4-(1-propan-2-ylpyrazol-4-yl)pyridine (CID 86659391) is 2,6-dichloro-4-(1-propan-2-ylpyrazol-4-yl)pyridine.
What is the SMILES notation for 2,6-dichloro-4-(1-propan-2-ylpyrazol-4-yl)pyridine?
The canonical SMILES for 2,6-dichloro-4-(1-propan-2-ylpyrazol-4-yl)pyridine is CC(C)n1cc(-c2cc(Cl)nc(Cl)c2)cn1.
What is the InChIKey of 2,6-dichloro-4-(1-propan-2-ylpyrazol-4-yl)pyridine?
The InChIKey is CBFCHYFBCMJODW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11Cl2N3/c1-7(2)16-6-9(5-14-16)8-3-10(12)15-11(13)4-8/h3-7H,1-2H3.
What are the key properties of 2,6-dichloro-4-(1-propan-2-ylpyrazol-4-yl)pyridine?
2,6-dichloro-4-(1-propan-2-ylpyrazol-4-yl)pyridine has a molecular weight of 256.14 g/mol, XLogP of 3.83, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-4-(1-propan-2-ylpyrazol-4-yl)pyridine is sourced from PubChem (CID 86659391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).