2-(7-chloropyrido[3,2-d]pyrimidin-2-yl)phenol;3-(7-chloropyrido[3,2-d]pyrimidin-2-yl)phenol;4-(7-chloropyrido[3,2-d]pyrimidin-2-yl)phenol

C39H24Cl3N9O3 — CID 159464989

IUPAC2-(7-chloropyrido[3,2-d]pyrimidin-2-yl)phenol;3-(7-chloropyrido[3,2-d]pyrimidin-2-yl)phenol;4-(7-chloropyrido[3,2-d]pyrimidin-2-yl)phenol
SMILESOc1ccc(-c2ncc3ncc(Cl)cc3n2)cc1.Oc1cccc(-c2ncc3ncc(Cl)cc3n2)c1.Oc1ccccc1-c1ncc2ncc(Cl)cc2n1
InChIInChI=1S/3C13H8ClN3O/c14-9-5-11-12(15-6-9)7-16-13(17-11)8-1-3-10(18)4-2-8;14-9-5-11-12(15-6-9)7-16-13(17-11)8-2-1-3-10(18)4-8;14-8-5-10-11(15-6-8)7-16-13(17-10)9-3-1-2-4-12(9)18/h3*1-7,18H
InChIKeyLVBIQSNGFSIUTF-UHFFFAOYSA-N
MW773.04 g/mol
LogP9.15
Rot. Bonds3

About 2-(7-chloropyrido[3,2-d]pyrimidin-2-yl)phenol;3-(7-chloropyrido[3,2-d]pyrimidin-2-yl)phenol;4-(7-chloropyrido[3,2-d]pyrimidin-2-yl)phenol

2-(7-chloropyrido[3,2-d]pyrimidin-2-yl)phenol;3-(7-chloropyrido[3,2-d]pyrimidin-2-yl)phenol;4-(7-chloropyrido[3,2-d]pyrimidin-2-yl)phenol (PubChem CID 159464989) has the molecular formula C39H24Cl3N9O3 and a molecular weight of 773.04 g/mol. Its IUPAC name is 2-(7-chloropyrido[3,2-d]pyrimidin-2-yl)phenol;3-(7-chloropyrido[3,2-d]pyrimidin-2-yl)phenol;4-(7-chloropyrido[3,2-d]pyrimidin-2-yl)phenol.

Molecular Properties

Compound Name2-(7-chloropyrido[3,2-d]pyrimidin-2-yl)phenol;3-(7-chloropyrido[3,2-d]pyrimidin-2-yl)phenol;4-(7-chloropyrido[3,2-d]pyrimidin-2-yl)phenol
PubChem CID159464989
Molecular FormulaC39H24Cl3N9O3
Molecular Weight773.04 g/mol
Exact Mass771.11
IUPAC Name2-(7-chloropyrido[3,2-d]pyrimidin-2-yl)phenol;3-(7-chloropyrido[3,2-d]pyrimidin-2-yl)phenol;4-(7-chloropyrido[3,2-d]pyrimidin-2-yl)phenol
SMILESOc1ccc(-c2ncc3ncc(Cl)cc3n2)cc1.Oc1cccc(-c2ncc3ncc(Cl)cc3n2)c1.Oc1ccccc1-c1ncc2ncc(Cl)cc2n1
InChIInChI=1S/3C13H8ClN3O/c14-9-5-11-12(15-6-9)7-16-13(17-11)8-1-3-10(18)4-2-8;14-9-5-11-12(15-6-9)7-16-13(17-11)8-2-1-3-10(18)4-8;14-8-5-10-11(15-6-8)7-16-13(17-10)9-3-1-2-4-12(9)18/h3*1-7,18H
InChIKeyLVBIQSNGFSIUTF-UHFFFAOYSA-N
XLogP9.15
TPSA176.70 Ų
H-Bond Donors3
H-Bond Acceptors12
Rotatable Bonds3
Heavy Atoms54
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500773.04
LogP ≤ 59.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1012

Analyze 2-(7-chloropyrido[3,2-d]pyrimidin-2-yl)phenol;3-(7-chloropyrido[3,2-d]pyrimidin-2-yl)phenol;4-(7-chloropyrido[3,2-d]pyrimidin-2-yl)phenol with MolForge

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Related Compounds

4-[2-[4-(7-Chloroquinolin-4-yl)piperazin-1-yl]-6-(4-hydroxyphenyl)pyrimidin-4-yl]benzene-1,2-diol
CID 164627426
4-(7-Chloropyrido[3,2-d]pyrimidin-2-yl)phenol
CID 136475254
2-[7-(4-Hydroxyphenyl)pyrido[3,2-d]pyrimidin-2-yl]phenol
CID 136475284
2-[2-(4-Hydroxyphenyl)pyrido[3,2-d]pyrimidin-7-yl]phenol
CID 136475286
3-[2-(4-Hydroxyphenyl)pyrido[3,2-d]pyrimidin-7-yl]phenol
CID 136475287
3-[7-(4-Hydroxyphenyl)pyrido[3,2-d]pyrimidin-2-yl]phenol
CID 136475288
2-[4-[4-(3,5-Dichloro-4-pyridinyl)piperazin-1-yl]-6-fluoroquinazolin-2-yl]phenol
CID 136104899
3-(7-Chloropyrido[3,2-d]pyrimidin-2-yl)phenol
CID 68209570
3-[2-(3-Hydroxyphenyl)pyrido[3,2-d]pyrimidin-7-yl]phenol
CID 68209610
3-(7-Chloro-4-morpholinopyrido[3,2-d]pyrimidin-2-yl)phenol
CID 73055421
3-(7-Chloro-2-morpholin-4-ylpyrido[3,2-d]pyrimidin-4-yl)phenol
CID 73056302
3-(7-Chloro-2-piperidin-1-ylpyrido[3,2-d]pyrimidin-4-yl)phenol
CID 118243145

Frequently Asked Questions

What is the IUPAC name of 2-(7-chloropyrido[3,2-d]pyrimidin-2-yl)phenol;3-(7-chloropyrido[3,2-d]pyrimidin-2-yl)phenol;4-(7-chloropyrido[3,2-d]pyrimidin-2-yl)phenol?
The IUPAC name of 2-(7-chloropyrido[3,2-d]pyrimidin-2-yl)phenol;3-(7-chloropyrido[3,2-d]pyrimidin-2-yl)phenol;4-(7-chloropyrido[3,2-d]pyrimidin-2-yl)phenol (CID 159464989) is 2-(7-chloropyrido[3,2-d]pyrimidin-2-yl)phenol;3-(7-chloropyrido[3,2-d]pyrimidin-2-yl)phenol;4-(7-chloropyrido[3,2-d]pyrimidin-2-yl)phenol.
What is the SMILES notation for 2-(7-chloropyrido[3,2-d]pyrimidin-2-yl)phenol;3-(7-chloropyrido[3,2-d]pyrimidin-2-yl)phenol;4-(7-chloropyrido[3,2-d]pyrimidin-2-yl)phenol?
The canonical SMILES for 2-(7-chloropyrido[3,2-d]pyrimidin-2-yl)phenol;3-(7-chloropyrido[3,2-d]pyrimidin-2-yl)phenol;4-(7-chloropyrido[3,2-d]pyrimidin-2-yl)phenol is Oc1ccc(-c2ncc3ncc(Cl)cc3n2)cc1.Oc1cccc(-c2ncc3ncc(Cl)cc3n2)c1.Oc1ccccc1-c1ncc2ncc(Cl)cc2n1.
What is the InChIKey of 2-(7-chloropyrido[3,2-d]pyrimidin-2-yl)phenol;3-(7-chloropyrido[3,2-d]pyrimidin-2-yl)phenol;4-(7-chloropyrido[3,2-d]pyrimidin-2-yl)phenol?
The InChIKey is LVBIQSNGFSIUTF-UHFFFAOYSA-N. The full InChI is InChI=1S/3C13H8ClN3O/c14-9-5-11-12(15-6-9)7-16-13(17-11)8-1-3-10(18)4-2-8;14-9-5-11-12(15-6-9)7-16-13(17-11)8-2-1-3-10(18)4-8;14-8-5-10-11(15-6-8)7-16-13(17-10)9-3-1-2-4-12(9)18/h3*1-7,18H.
What are the key properties of 2-(7-chloropyrido[3,2-d]pyrimidin-2-yl)phenol;3-(7-chloropyrido[3,2-d]pyrimidin-2-yl)phenol;4-(7-chloropyrido[3,2-d]pyrimidin-2-yl)phenol?
2-(7-chloropyrido[3,2-d]pyrimidin-2-yl)phenol;3-(7-chloropyrido[3,2-d]pyrimidin-2-yl)phenol;4-(7-chloropyrido[3,2-d]pyrimidin-2-yl)phenol has a molecular weight of 773.04 g/mol, XLogP of 9.15, 3 rotatable bonds, 3 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-chloropyrido[3,2-d]pyrimidin-2-yl)phenol;3-(7-chloropyrido[3,2-d]pyrimidin-2-yl)phenol;4-(7-chloropyrido[3,2-d]pyrimidin-2-yl)phenol is sourced from PubChem (CID 159464989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).