2-chloro-4-[[5-fluoro-6-[4-methyl-3-(trifluoromethyl)phenoxy]-3-pyridinyl]methoxy]pyrimidine

C18H12ClF4N3O2 — CID 123509001

IUPAC2-chloro-4-[[5-fluoro-6-[4-methyl-3-(trifluoromethyl)phenoxy]-3-pyridinyl]methoxy]pyrimidine
SMILESCc1ccc(Oc2ncc(COc3ccnc(Cl)n3)cc2F)cc1C(F)(F)F
InChIInChI=1S/C18H12ClF4N3O2/c1-10-2-3-12(7-13(10)18(21,22)23)28-16-14(20)6-11(8-25-16)9-27-15-4-5-24-17(19)26-15/h2-8H,9H2,1H3
InChIKeyLOGCUNUQZZGWOL-UHFFFAOYSA-N
MW413.76 g/mol
LogP5.36
Rot. Bonds5

About 2-chloro-4-[[5-fluoro-6-[4-methyl-3-(trifluoromethyl)phenoxy]-3-pyridinyl]methoxy]pyrimidine

2-chloro-4-[[5-fluoro-6-[4-methyl-3-(trifluoromethyl)phenoxy]-3-pyridinyl]methoxy]pyrimidine (PubChem CID 123509001) has the molecular formula C18H12ClF4N3O2 and a molecular weight of 413.76 g/mol. Its IUPAC name is 2-chloro-4-[[5-fluoro-6-[4-methyl-3-(trifluoromethyl)phenoxy]-3-pyridinyl]methoxy]pyrimidine.

Molecular Properties

Compound Name2-chloro-4-[[5-fluoro-6-[4-methyl-3-(trifluoromethyl)phenoxy]-3-pyridinyl]methoxy]pyrimidine
PubChem CID123509001
Molecular FormulaC18H12ClF4N3O2
Molecular Weight413.76 g/mol
Exact Mass413.06
IUPAC Name2-chloro-4-[[5-fluoro-6-[4-methyl-3-(trifluoromethyl)phenoxy]-3-pyridinyl]methoxy]pyrimidine
SMILESCc1ccc(Oc2ncc(COc3ccnc(Cl)n3)cc2F)cc1C(F)(F)F
InChIInChI=1S/C18H12ClF4N3O2/c1-10-2-3-12(7-13(10)18(21,22)23)28-16-14(20)6-11(8-25-16)9-27-15-4-5-24-17(19)26-15/h2-8H,9H2,1H3
InChIKeyLOGCUNUQZZGWOL-UHFFFAOYSA-N
XLogP5.36
TPSA57.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.76
LogP ≤ 55.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-chloro-4-[[5-fluoro-6-[4-methyl-3-(trifluoromethyl)phenoxy]-3-pyridinyl]methoxy]pyrimidine with MolForge

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Related Compounds

8-({6-[4-(Trifluoromethyl)phenyl]pyrimidin-4-yl}oxy)isoquinoline
CID 10384316
7-({6-[4-(Trifluoromethyl)phenyl]pyrimidin-4-yl}oxy)isoquinoline
CID 10429017
6-({6-[4-(Trifluoromethyl)phenyl]pyrimidin-4-yl}oxy)isoquinoline
CID 10361588
3-Fluoropropyl 4-[4-(2-pyridinyl)-2-pyrimidinyl]phenyl ether
CID 4673337
2-(2-Pyridinyl)-4-(trifluoromethyl)-6-[3-(trifluoromethyl)phenoxy]pyrimidine
CID 1475724
4-(4-Fluorophenyl)-2-[4-(3-fluoropropoxy)phenyl]pyrimidine
CID 2767762
(2-Chloropyrimidin-5-yl)-(4-propan-2-yloxyphenyl)-pyridin-3-ylmethanol
CID 56672636
2-methyl-4-(((1S,2S)-2-(5-methylpyridin-2-yl(cyclopropyl)methoxy)-5-(2-(trifluoromethoxy) phenyl)pyrimidine
CID 76282301
2-methyl-4-(((1S,2S)-2-(5-methylpyridin-2-yl)cyclopropyl)methoxy)-5-(3-(trifluoromethoxy) phenyl)pyrimidine
CID 90182127
5-{2-Fluoro-4-[2-(1-methylethoxy)pyridin-3-yl]phenyl}pyrimidin-2-amine
CID 90312795
4-{[4'-(2-Aminopyrimidin-5-yl)-3'-fluoro-4-(trifluoromethyl)biphenyl-2-yl]oxy}pyrimidin-2-amine
CID 90312904
2-Methoxy-5-[2-[[6-[6-(2,2,2-trifluoroethoxy)pyridin-3-yl]pyridin-2-yl]methyl]phenyl]pyrimidine
CID 118073512

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-[[5-fluoro-6-[4-methyl-3-(trifluoromethyl)phenoxy]-3-pyridinyl]methoxy]pyrimidine?
The IUPAC name of 2-chloro-4-[[5-fluoro-6-[4-methyl-3-(trifluoromethyl)phenoxy]-3-pyridinyl]methoxy]pyrimidine (CID 123509001) is 2-chloro-4-[[5-fluoro-6-[4-methyl-3-(trifluoromethyl)phenoxy]-3-pyridinyl]methoxy]pyrimidine.
What is the SMILES notation for 2-chloro-4-[[5-fluoro-6-[4-methyl-3-(trifluoromethyl)phenoxy]-3-pyridinyl]methoxy]pyrimidine?
The canonical SMILES for 2-chloro-4-[[5-fluoro-6-[4-methyl-3-(trifluoromethyl)phenoxy]-3-pyridinyl]methoxy]pyrimidine is Cc1ccc(Oc2ncc(COc3ccnc(Cl)n3)cc2F)cc1C(F)(F)F.
What is the InChIKey of 2-chloro-4-[[5-fluoro-6-[4-methyl-3-(trifluoromethyl)phenoxy]-3-pyridinyl]methoxy]pyrimidine?
The InChIKey is LOGCUNUQZZGWOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12ClF4N3O2/c1-10-2-3-12(7-13(10)18(21,22)23)28-16-14(20)6-11(8-25-16)9-27-15-4-5-24-17(19)26-15/h2-8H,9H2,1H3.
What are the key properties of 2-chloro-4-[[5-fluoro-6-[4-methyl-3-(trifluoromethyl)phenoxy]-3-pyridinyl]methoxy]pyrimidine?
2-chloro-4-[[5-fluoro-6-[4-methyl-3-(trifluoromethyl)phenoxy]-3-pyridinyl]methoxy]pyrimidine has a molecular weight of 413.76 g/mol, XLogP of 5.36, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-[[5-fluoro-6-[4-methyl-3-(trifluoromethyl)phenoxy]-3-pyridinyl]methoxy]pyrimidine is sourced from PubChem (CID 123509001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).