2-chloro-4-methoxy-5-(1,2,3-trimethyl-3H-pyrazol-5-yl)pyridine

C12H16ClN3O — CID 144864662

IUPAC2-chloro-4-methoxy-5-(1,2,3-trimethyl-3H-pyrazol-5-yl)pyridine
SMILESCOc1cc(Cl)ncc1C1=CC(C)N(C)N1C
InChIInChI=1S/C12H16ClN3O/c1-8-5-10(16(3)15(8)2)9-7-14-12(13)6-11(9)17-4/h5-8H,1-4H3
InChIKeyGYIZCEYRGNHCHF-UHFFFAOYSA-N
MW253.73 g/mol
LogP2.27
Rot. Bonds2

About 2-chloro-4-methoxy-5-(1,2,3-trimethyl-3H-pyrazol-5-yl)pyridine

2-chloro-4-methoxy-5-(1,2,3-trimethyl-3H-pyrazol-5-yl)pyridine (PubChem CID 144864662) has the molecular formula C12H16ClN3O and a molecular weight of 253.73 g/mol. Its IUPAC name is 2-chloro-4-methoxy-5-(1,2,3-trimethyl-3H-pyrazol-5-yl)pyridine.

Molecular Properties

Compound Name2-chloro-4-methoxy-5-(1,2,3-trimethyl-3H-pyrazol-5-yl)pyridine
PubChem CID144864662
Molecular FormulaC12H16ClN3O
Molecular Weight253.73 g/mol
Exact Mass253.10
IUPAC Name2-chloro-4-methoxy-5-(1,2,3-trimethyl-3H-pyrazol-5-yl)pyridine
SMILESCOc1cc(Cl)ncc1C1=CC(C)N(C)N1C
InChIInChI=1S/C12H16ClN3O/c1-8-5-10(16(3)15(8)2)9-7-14-12(13)6-11(9)17-4/h5-8H,1-4H3
InChIKeyGYIZCEYRGNHCHF-UHFFFAOYSA-N
XLogP2.27
TPSA28.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.73
LogP ≤ 52.27
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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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-methoxy-5-(1,2,3-trimethyl-3H-pyrazol-5-yl)pyridine?
The IUPAC name of 2-chloro-4-methoxy-5-(1,2,3-trimethyl-3H-pyrazol-5-yl)pyridine (CID 144864662) is 2-chloro-4-methoxy-5-(1,2,3-trimethyl-3H-pyrazol-5-yl)pyridine.
What is the SMILES notation for 2-chloro-4-methoxy-5-(1,2,3-trimethyl-3H-pyrazol-5-yl)pyridine?
The canonical SMILES for 2-chloro-4-methoxy-5-(1,2,3-trimethyl-3H-pyrazol-5-yl)pyridine is COc1cc(Cl)ncc1C1=CC(C)N(C)N1C.
What is the InChIKey of 2-chloro-4-methoxy-5-(1,2,3-trimethyl-3H-pyrazol-5-yl)pyridine?
The InChIKey is GYIZCEYRGNHCHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClN3O/c1-8-5-10(16(3)15(8)2)9-7-14-12(13)6-11(9)17-4/h5-8H,1-4H3.
What are the key properties of 2-chloro-4-methoxy-5-(1,2,3-trimethyl-3H-pyrazol-5-yl)pyridine?
2-chloro-4-methoxy-5-(1,2,3-trimethyl-3H-pyrazol-5-yl)pyridine has a molecular weight of 253.73 g/mol, XLogP of 2.27, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-methoxy-5-(1,2,3-trimethyl-3H-pyrazol-5-yl)pyridine is sourced from PubChem (CID 144864662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).