6-[2-(5-chloro-2-fluorophenyl)-3-pyridinyl]-3H-pyrido[3,2-d]pyrimidin-4-one

C18H10ClFN4O — CID 136929412

IUPAC6-[2-(5-chloro-2-fluorophenyl)-3-pyridinyl]-3H-pyrido[3,2-d]pyrimidin-4-one
SMILESO=c1[nH]cnc2ccc(-c3cccnc3-c3cc(Cl)ccc3F)nc12
InChIInChI=1S/C18H10ClFN4O/c19-10-3-4-13(20)12(8-10)16-11(2-1-7-21-16)14-5-6-15-17(24-14)18(25)23-9-22-15/h1-9H,(H,22,23,25)
InChIKeyFSYMUHBGLNUTSO-UHFFFAOYSA-N
MW352.76 g/mol
LogP3.84
Rot. Bonds2

About 6-[2-(5-chloro-2-fluorophenyl)-3-pyridinyl]-3H-pyrido[3,2-d]pyrimidin-4-one

6-[2-(5-chloro-2-fluorophenyl)-3-pyridinyl]-3H-pyrido[3,2-d]pyrimidin-4-one (PubChem CID 136929412) has the molecular formula C18H10ClFN4O and a molecular weight of 352.76 g/mol. Its IUPAC name is 6-[2-(5-chloro-2-fluorophenyl)-3-pyridinyl]-3H-pyrido[3,2-d]pyrimidin-4-one.

Molecular Properties

Compound Name6-[2-(5-chloro-2-fluorophenyl)-3-pyridinyl]-3H-pyrido[3,2-d]pyrimidin-4-one
PubChem CID136929412
Molecular FormulaC18H10ClFN4O
Molecular Weight352.76 g/mol
Exact Mass352.05
IUPAC Name6-[2-(5-chloro-2-fluorophenyl)-3-pyridinyl]-3H-pyrido[3,2-d]pyrimidin-4-one
SMILESO=c1[nH]cnc2ccc(-c3cccnc3-c3cc(Cl)ccc3F)nc12
InChIInChI=1S/C18H10ClFN4O/c19-10-3-4-13(20)12(8-10)16-11(2-1-7-21-16)14-5-6-15-17(24-14)18(25)23-9-22-15/h1-9H,(H,22,23,25)
InChIKeyFSYMUHBGLNUTSO-UHFFFAOYSA-N
XLogP3.84
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.76
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[2-(5-chloro-2-fluorophenyl)-3-pyridinyl]-3H-pyrido[3,2-d]pyrimidin-4-one?
The IUPAC name of 6-[2-(5-chloro-2-fluorophenyl)-3-pyridinyl]-3H-pyrido[3,2-d]pyrimidin-4-one (CID 136929412) is 6-[2-(5-chloro-2-fluorophenyl)-3-pyridinyl]-3H-pyrido[3,2-d]pyrimidin-4-one.
What is the SMILES notation for 6-[2-(5-chloro-2-fluorophenyl)-3-pyridinyl]-3H-pyrido[3,2-d]pyrimidin-4-one?
The canonical SMILES for 6-[2-(5-chloro-2-fluorophenyl)-3-pyridinyl]-3H-pyrido[3,2-d]pyrimidin-4-one is O=c1[nH]cnc2ccc(-c3cccnc3-c3cc(Cl)ccc3F)nc12.
What is the InChIKey of 6-[2-(5-chloro-2-fluorophenyl)-3-pyridinyl]-3H-pyrido[3,2-d]pyrimidin-4-one?
The InChIKey is FSYMUHBGLNUTSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H10ClFN4O/c19-10-3-4-13(20)12(8-10)16-11(2-1-7-21-16)14-5-6-15-17(24-14)18(25)23-9-22-15/h1-9H,(H,22,23,25).
What are the key properties of 6-[2-(5-chloro-2-fluorophenyl)-3-pyridinyl]-3H-pyrido[3,2-d]pyrimidin-4-one?
6-[2-(5-chloro-2-fluorophenyl)-3-pyridinyl]-3H-pyrido[3,2-d]pyrimidin-4-one has a molecular weight of 352.76 g/mol, XLogP of 3.84, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(5-chloro-2-fluorophenyl)-3-pyridinyl]-3H-pyrido[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 136929412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).