2-[4-(3,4-difluorophenyl)-1H-pyrazol-5-yl]-6-methylpyridine

C15H11F2N3 — CID 11807788

IUPAC2-[4-(3,4-difluorophenyl)-1H-pyrazol-5-yl]-6-methylpyridine
SMILESCc1cccc(-c2[nH]ncc2-c2ccc(F)c(F)c2)n1
InChIInChI=1S/C15H11F2N3/c1-9-3-2-4-14(19-9)15-11(8-18-20-15)10-5-6-12(16)13(17)7-10/h2-8H,1H3,(H,18,20)
InChIKeyHVRHZSOILWVHAP-UHFFFAOYSA-N
MW271.27 g/mol
LogP3.73
Rot. Bonds2

About 2-[4-(3,4-difluorophenyl)-1H-pyrazol-5-yl]-6-methylpyridine

2-[4-(3,4-difluorophenyl)-1H-pyrazol-5-yl]-6-methylpyridine (PubChem CID 11807788) has the molecular formula C15H11F2N3 and a molecular weight of 271.27 g/mol. Its IUPAC name is 2-[4-(3,4-difluorophenyl)-1H-pyrazol-5-yl]-6-methylpyridine.

Molecular Properties

Compound Name2-[4-(3,4-difluorophenyl)-1H-pyrazol-5-yl]-6-methylpyridine
PubChem CID11807788
Molecular FormulaC15H11F2N3
Molecular Weight271.27 g/mol
Exact Mass271.09
IUPAC Name2-[4-(3,4-difluorophenyl)-1H-pyrazol-5-yl]-6-methylpyridine
SMILESCc1cccc(-c2[nH]ncc2-c2ccc(F)c(F)c2)n1
InChIInChI=1S/C15H11F2N3/c1-9-3-2-4-14(19-9)15-11(8-18-20-15)10-5-6-12(16)13(17)7-10/h2-8H,1H3,(H,18,20)
InChIKeyHVRHZSOILWVHAP-UHFFFAOYSA-N
XLogP3.73
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.27
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(3,4-difluorophenyl)-1H-pyrazol-5-yl]-6-methylpyridine?
The IUPAC name of 2-[4-(3,4-difluorophenyl)-1H-pyrazol-5-yl]-6-methylpyridine (CID 11807788) is 2-[4-(3,4-difluorophenyl)-1H-pyrazol-5-yl]-6-methylpyridine.
What is the SMILES notation for 2-[4-(3,4-difluorophenyl)-1H-pyrazol-5-yl]-6-methylpyridine?
The canonical SMILES for 2-[4-(3,4-difluorophenyl)-1H-pyrazol-5-yl]-6-methylpyridine is Cc1cccc(-c2[nH]ncc2-c2ccc(F)c(F)c2)n1.
What is the InChIKey of 2-[4-(3,4-difluorophenyl)-1H-pyrazol-5-yl]-6-methylpyridine?
The InChIKey is HVRHZSOILWVHAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F2N3/c1-9-3-2-4-14(19-9)15-11(8-18-20-15)10-5-6-12(16)13(17)7-10/h2-8H,1H3,(H,18,20).
What are the key properties of 2-[4-(3,4-difluorophenyl)-1H-pyrazol-5-yl]-6-methylpyridine?
2-[4-(3,4-difluorophenyl)-1H-pyrazol-5-yl]-6-methylpyridine has a molecular weight of 271.27 g/mol, XLogP of 3.73, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3,4-difluorophenyl)-1H-pyrazol-5-yl]-6-methylpyridine is sourced from PubChem (CID 11807788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).