2-chloro-6-(2,4-difluorophenoxy)pyrido[3,4-d]pyrimidine

C13H6ClF2N3O — CID 11460591

IUPAC2-chloro-6-(2,4-difluorophenoxy)pyrido[3,4-d]pyrimidine
SMILESFc1ccc(Oc2cc3cnc(Cl)nc3cn2)c(F)c1
InChIInChI=1S/C13H6ClF2N3O/c14-13-18-5-7-3-12(17-6-10(7)19-13)20-11-2-1-8(15)4-9(11)16/h1-6H
InChIKeyCXGBCEKAGYBVJY-UHFFFAOYSA-N
MW293.66 g/mol
LogP3.75
Rot. Bonds2

About 2-chloro-6-(2,4-difluorophenoxy)pyrido[3,4-d]pyrimidine

2-chloro-6-(2,4-difluorophenoxy)pyrido[3,4-d]pyrimidine (PubChem CID 11460591) has the molecular formula C13H6ClF2N3O and a molecular weight of 293.66 g/mol. Its IUPAC name is 2-chloro-6-(2,4-difluorophenoxy)pyrido[3,4-d]pyrimidine.

Molecular Properties

Compound Name2-chloro-6-(2,4-difluorophenoxy)pyrido[3,4-d]pyrimidine
PubChem CID11460591
Molecular FormulaC13H6ClF2N3O
Molecular Weight293.66 g/mol
Exact Mass293.02
IUPAC Name2-chloro-6-(2,4-difluorophenoxy)pyrido[3,4-d]pyrimidine
SMILESFc1ccc(Oc2cc3cnc(Cl)nc3cn2)c(F)c1
InChIInChI=1S/C13H6ClF2N3O/c14-13-18-5-7-3-12(17-6-10(7)19-13)20-11-2-1-8(15)4-9(11)16/h1-6H
InChIKeyCXGBCEKAGYBVJY-UHFFFAOYSA-N
XLogP3.75
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.66
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-(2,4-difluorophenoxy)-N-(oxan-4-yl)pyrido[3,4-d]pyrimidin-2-amine
CID 11428301
6-(2,4-difluorophenoxy)-4-methylpyridin-3-amine
CID 79175877
5-bromo-2-(2,4-difluorophenoxy)-4-methylpyridine
CID 114870597
2-[6-(2,4-difluorophenoxy)pyrazolo[4,3-c]pyridin-1-yl]acetaldehyde
CID 87717358
N-[2-(2,4-difluorophenoxy)-5-methyl-4-pyridinyl]acetamide
CID 59834294
5-chloro-2-(2-chloro-4-fluorophenoxy)pyridine
CID 66234554
4-(chloromethyl)-2-(2,4-difluorophenoxy)pyridine
CID 61267682
2-chloro-4-(2,4-difluorophenoxy)-6-methylthieno[2,3-d]pyrimidine
CID 103319870
2-(2-chloro-6-fluorophenyl)-N-[6-(2,4-difluorophenoxy)-3-pyridinyl]acetamide
CID 154872994
2-(2-fluorophenoxy)quinoxaline
CID 10537993
6-(2,4-difluorophenoxy)-N-methylpyrimidin-4-amine
CID 80862951
3-chloro-4-(2,4-difluorophenoxy)-1,2,5-thiadiazole
CID 61038458

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-(2,4-difluorophenoxy)pyrido[3,4-d]pyrimidine?
The IUPAC name of 2-chloro-6-(2,4-difluorophenoxy)pyrido[3,4-d]pyrimidine (CID 11460591) is 2-chloro-6-(2,4-difluorophenoxy)pyrido[3,4-d]pyrimidine.
What is the SMILES notation for 2-chloro-6-(2,4-difluorophenoxy)pyrido[3,4-d]pyrimidine?
The canonical SMILES for 2-chloro-6-(2,4-difluorophenoxy)pyrido[3,4-d]pyrimidine is Fc1ccc(Oc2cc3cnc(Cl)nc3cn2)c(F)c1.
What is the InChIKey of 2-chloro-6-(2,4-difluorophenoxy)pyrido[3,4-d]pyrimidine?
The InChIKey is CXGBCEKAGYBVJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H6ClF2N3O/c14-13-18-5-7-3-12(17-6-10(7)19-13)20-11-2-1-8(15)4-9(11)16/h1-6H.
What are the key properties of 2-chloro-6-(2,4-difluorophenoxy)pyrido[3,4-d]pyrimidine?
2-chloro-6-(2,4-difluorophenoxy)pyrido[3,4-d]pyrimidine has a molecular weight of 293.66 g/mol, XLogP of 3.75, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-(2,4-difluorophenoxy)pyrido[3,4-d]pyrimidine is sourced from PubChem (CID 11460591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).