methyl 6-[4-(3-chloro-2-fluoro-6-methoxyphenyl)-1-methylpyrazol-3-yl]pyridine-3-carboxylate

C18H15ClFN3O3 — CID 171559498

IUPACmethyl 6-[4-(3-chloro-2-fluoro-6-methoxyphenyl)-1-methylpyrazol-3-yl]pyridine-3-carboxylate
SMILESCOC(=O)c1ccc(-c2nn(C)cc2-c2c(OC)ccc(Cl)c2F)nc1
InChIInChI=1S/C18H15ClFN3O3/c1-23-9-11(15-14(25-2)7-5-12(19)16(15)20)17(22-23)13-6-4-10(8-21-13)18(24)26-3/h4-9H,1-3H3
InChIKeyUMLDKXOSAONHAE-UHFFFAOYSA-N
MW375.79 g/mol
LogP3.74
Rot. Bonds4

About methyl 6-[4-(3-chloro-2-fluoro-6-methoxyphenyl)-1-methylpyrazol-3-yl]pyridine-3-carboxylate

methyl 6-[4-(3-chloro-2-fluoro-6-methoxyphenyl)-1-methylpyrazol-3-yl]pyridine-3-carboxylate (PubChem CID 171559498) has the molecular formula C18H15ClFN3O3 and a molecular weight of 375.79 g/mol. Its IUPAC name is methyl 6-[4-(3-chloro-2-fluoro-6-methoxyphenyl)-1-methylpyrazol-3-yl]pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 6-[4-(3-chloro-2-fluoro-6-methoxyphenyl)-1-methylpyrazol-3-yl]pyridine-3-carboxylate
PubChem CID171559498
Molecular FormulaC18H15ClFN3O3
Molecular Weight375.79 g/mol
Exact Mass375.08
IUPAC Namemethyl 6-[4-(3-chloro-2-fluoro-6-methoxyphenyl)-1-methylpyrazol-3-yl]pyridine-3-carboxylate
SMILESCOC(=O)c1ccc(-c2nn(C)cc2-c2c(OC)ccc(Cl)c2F)nc1
InChIInChI=1S/C18H15ClFN3O3/c1-23-9-11(15-14(25-2)7-5-12(19)16(15)20)17(22-23)13-6-4-10(8-21-13)18(24)26-3/h4-9H,1-3H3
InChIKeyUMLDKXOSAONHAE-UHFFFAOYSA-N
XLogP3.74
TPSA66.24 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.79
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 6-[4-(3-chloro-2-fluoro-6-methoxyphenyl)-1-methylpyrazol-3-yl]pyridine-3-carboxylate?
The IUPAC name of methyl 6-[4-(3-chloro-2-fluoro-6-methoxyphenyl)-1-methylpyrazol-3-yl]pyridine-3-carboxylate (CID 171559498) is methyl 6-[4-(3-chloro-2-fluoro-6-methoxyphenyl)-1-methylpyrazol-3-yl]pyridine-3-carboxylate.
What is the SMILES notation for methyl 6-[4-(3-chloro-2-fluoro-6-methoxyphenyl)-1-methylpyrazol-3-yl]pyridine-3-carboxylate?
The canonical SMILES for methyl 6-[4-(3-chloro-2-fluoro-6-methoxyphenyl)-1-methylpyrazol-3-yl]pyridine-3-carboxylate is COC(=O)c1ccc(-c2nn(C)cc2-c2c(OC)ccc(Cl)c2F)nc1.
What is the InChIKey of methyl 6-[4-(3-chloro-2-fluoro-6-methoxyphenyl)-1-methylpyrazol-3-yl]pyridine-3-carboxylate?
The InChIKey is UMLDKXOSAONHAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClFN3O3/c1-23-9-11(15-14(25-2)7-5-12(19)16(15)20)17(22-23)13-6-4-10(8-21-13)18(24)26-3/h4-9H,1-3H3.
What are the key properties of methyl 6-[4-(3-chloro-2-fluoro-6-methoxyphenyl)-1-methylpyrazol-3-yl]pyridine-3-carboxylate?
methyl 6-[4-(3-chloro-2-fluoro-6-methoxyphenyl)-1-methylpyrazol-3-yl]pyridine-3-carboxylate has a molecular weight of 375.79 g/mol, XLogP of 3.74, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-[4-(3-chloro-2-fluoro-6-methoxyphenyl)-1-methylpyrazol-3-yl]pyridine-3-carboxylate is sourced from PubChem (CID 171559498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).