5-[3-chloro-4-(2,6-difluoro-4-methoxyphenyl)-1-methylpyrazol-5-yl]-2-methoxypyridine

C17H14ClF2N3O2 — CID 102205408

IUPAC5-[3-chloro-4-(2,6-difluoro-4-methoxyphenyl)-1-methylpyrazol-5-yl]-2-methoxypyridine
SMILESCOc1cc(F)c(-c2c(Cl)nn(C)c2-c2ccc(OC)nc2)c(F)c1
InChIInChI=1S/C17H14ClF2N3O2/c1-23-16(9-4-5-13(25-3)21-8-9)15(17(18)22-23)14-11(19)6-10(24-2)7-12(14)20/h4-8H,1-3H3
InChIKeyNKHFNIBYZDZMIW-UHFFFAOYSA-N
MW365.77 g/mol
LogP4.10
Rot. Bonds4

About 5-[3-chloro-4-(2,6-difluoro-4-methoxyphenyl)-1-methylpyrazol-5-yl]-2-methoxypyridine

5-[3-chloro-4-(2,6-difluoro-4-methoxyphenyl)-1-methylpyrazol-5-yl]-2-methoxypyridine (PubChem CID 102205408) has the molecular formula C17H14ClF2N3O2 and a molecular weight of 365.77 g/mol. Its IUPAC name is 5-[3-chloro-4-(2,6-difluoro-4-methoxyphenyl)-1-methylpyrazol-5-yl]-2-methoxypyridine.

Molecular Properties

Compound Name5-[3-chloro-4-(2,6-difluoro-4-methoxyphenyl)-1-methylpyrazol-5-yl]-2-methoxypyridine
PubChem CID102205408
Molecular FormulaC17H14ClF2N3O2
Molecular Weight365.77 g/mol
Exact Mass365.07
IUPAC Name5-[3-chloro-4-(2,6-difluoro-4-methoxyphenyl)-1-methylpyrazol-5-yl]-2-methoxypyridine
SMILESCOc1cc(F)c(-c2c(Cl)nn(C)c2-c2ccc(OC)nc2)c(F)c1
InChIInChI=1S/C17H14ClF2N3O2/c1-23-16(9-4-5-13(25-3)21-8-9)15(17(18)22-23)14-11(19)6-10(24-2)7-12(14)20/h4-8H,1-3H3
InChIKeyNKHFNIBYZDZMIW-UHFFFAOYSA-N
XLogP4.10
TPSA49.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.77
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[3-chloro-4-(2,6-difluoro-4-methoxyphenyl)-1-methylpyrazol-5-yl]-2-methoxypyridine?
The IUPAC name of 5-[3-chloro-4-(2,6-difluoro-4-methoxyphenyl)-1-methylpyrazol-5-yl]-2-methoxypyridine (CID 102205408) is 5-[3-chloro-4-(2,6-difluoro-4-methoxyphenyl)-1-methylpyrazol-5-yl]-2-methoxypyridine.
What is the SMILES notation for 5-[3-chloro-4-(2,6-difluoro-4-methoxyphenyl)-1-methylpyrazol-5-yl]-2-methoxypyridine?
The canonical SMILES for 5-[3-chloro-4-(2,6-difluoro-4-methoxyphenyl)-1-methylpyrazol-5-yl]-2-methoxypyridine is COc1cc(F)c(-c2c(Cl)nn(C)c2-c2ccc(OC)nc2)c(F)c1.
What is the InChIKey of 5-[3-chloro-4-(2,6-difluoro-4-methoxyphenyl)-1-methylpyrazol-5-yl]-2-methoxypyridine?
The InChIKey is NKHFNIBYZDZMIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClF2N3O2/c1-23-16(9-4-5-13(25-3)21-8-9)15(17(18)22-23)14-11(19)6-10(24-2)7-12(14)20/h4-8H,1-3H3.
What are the key properties of 5-[3-chloro-4-(2,6-difluoro-4-methoxyphenyl)-1-methylpyrazol-5-yl]-2-methoxypyridine?
5-[3-chloro-4-(2,6-difluoro-4-methoxyphenyl)-1-methylpyrazol-5-yl]-2-methoxypyridine has a molecular weight of 365.77 g/mol, XLogP of 4.10, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-chloro-4-(2,6-difluoro-4-methoxyphenyl)-1-methylpyrazol-5-yl]-2-methoxypyridine is sourced from PubChem (CID 102205408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).