2-chloro-6-(difluoromethyl)-3-(1-methylpyrazol-4-yl)pyridine

C10H8ClF2N3 — CID 142510493

IUPAC2-chloro-6-(difluoromethyl)-3-(1-methylpyrazol-4-yl)pyridine
SMILESCn1cc(-c2ccc(C(F)F)nc2Cl)cn1
InChIInChI=1S/C10H8ClF2N3/c1-16-5-6(4-14-16)7-2-3-8(10(12)13)15-9(7)11/h2-5,10H,1H3
InChIKeyIYEKATJAKZOVRN-UHFFFAOYSA-N
MW243.64 g/mol
LogP3.07
Rot. Bonds2

About 2-chloro-6-(difluoromethyl)-3-(1-methylpyrazol-4-yl)pyridine

2-chloro-6-(difluoromethyl)-3-(1-methylpyrazol-4-yl)pyridine (PubChem CID 142510493) has the molecular formula C10H8ClF2N3 and a molecular weight of 243.64 g/mol. Its IUPAC name is 2-chloro-6-(difluoromethyl)-3-(1-methylpyrazol-4-yl)pyridine.

Molecular Properties

Compound Name2-chloro-6-(difluoromethyl)-3-(1-methylpyrazol-4-yl)pyridine
PubChem CID142510493
Molecular FormulaC10H8ClF2N3
Molecular Weight243.64 g/mol
Exact Mass243.04
IUPAC Name2-chloro-6-(difluoromethyl)-3-(1-methylpyrazol-4-yl)pyridine
SMILESCn1cc(-c2ccc(C(F)F)nc2Cl)cn1
InChIInChI=1S/C10H8ClF2N3/c1-16-5-6(4-14-16)7-2-3-8(10(12)13)15-9(7)11/h2-5,10H,1H3
InChIKeyIYEKATJAKZOVRN-UHFFFAOYSA-N
XLogP3.07
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.64
LogP ≤ 53.07
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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Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-(difluoromethyl)-3-(1-methylpyrazol-4-yl)pyridine?
The IUPAC name of 2-chloro-6-(difluoromethyl)-3-(1-methylpyrazol-4-yl)pyridine (CID 142510493) is 2-chloro-6-(difluoromethyl)-3-(1-methylpyrazol-4-yl)pyridine.
What is the SMILES notation for 2-chloro-6-(difluoromethyl)-3-(1-methylpyrazol-4-yl)pyridine?
The canonical SMILES for 2-chloro-6-(difluoromethyl)-3-(1-methylpyrazol-4-yl)pyridine is Cn1cc(-c2ccc(C(F)F)nc2Cl)cn1.
What is the InChIKey of 2-chloro-6-(difluoromethyl)-3-(1-methylpyrazol-4-yl)pyridine?
The InChIKey is IYEKATJAKZOVRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClF2N3/c1-16-5-6(4-14-16)7-2-3-8(10(12)13)15-9(7)11/h2-5,10H,1H3.
What are the key properties of 2-chloro-6-(difluoromethyl)-3-(1-methylpyrazol-4-yl)pyridine?
2-chloro-6-(difluoromethyl)-3-(1-methylpyrazol-4-yl)pyridine has a molecular weight of 243.64 g/mol, XLogP of 3.07, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-(difluoromethyl)-3-(1-methylpyrazol-4-yl)pyridine is sourced from PubChem (CID 142510493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).