6-[2-(5-chloro-2-fluorophenyl)-3-pyridinyl]-4-methoxypyrido[3,2-d]pyrimidine

C19H12ClFN4O — CID 118437807

IUPAC6-[2-(5-chloro-2-fluorophenyl)-3-pyridinyl]-4-methoxypyrido[3,2-d]pyrimidine
SMILESCOc1ncnc2ccc(-c3cccnc3-c3cc(Cl)ccc3F)nc12
InChIInChI=1S/C19H12ClFN4O/c1-26-19-18-16(23-10-24-19)7-6-15(25-18)12-3-2-8-22-17(12)13-9-11(20)4-5-14(13)21/h2-10H,1H3
InChIKeySNUXJSBKXCANON-UHFFFAOYSA-N
MW366.78 g/mol
LogP4.55
Rot. Bonds3

About 6-[2-(5-chloro-2-fluorophenyl)-3-pyridinyl]-4-methoxypyrido[3,2-d]pyrimidine

6-[2-(5-chloro-2-fluorophenyl)-3-pyridinyl]-4-methoxypyrido[3,2-d]pyrimidine (PubChem CID 118437807) has the molecular formula C19H12ClFN4O and a molecular weight of 366.78 g/mol. Its IUPAC name is 6-[2-(5-chloro-2-fluorophenyl)-3-pyridinyl]-4-methoxypyrido[3,2-d]pyrimidine.

Molecular Properties

Compound Name6-[2-(5-chloro-2-fluorophenyl)-3-pyridinyl]-4-methoxypyrido[3,2-d]pyrimidine
PubChem CID118437807
Molecular FormulaC19H12ClFN4O
Molecular Weight366.78 g/mol
Exact Mass366.07
IUPAC Name6-[2-(5-chloro-2-fluorophenyl)-3-pyridinyl]-4-methoxypyrido[3,2-d]pyrimidine
SMILESCOc1ncnc2ccc(-c3cccnc3-c3cc(Cl)ccc3F)nc12
InChIInChI=1S/C19H12ClFN4O/c1-26-19-18-16(23-10-24-19)7-6-15(25-18)12-3-2-8-22-17(12)13-9-11(20)4-5-14(13)21/h2-10H,1H3
InChIKeySNUXJSBKXCANON-UHFFFAOYSA-N
XLogP4.55
TPSA60.79 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.78
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[2-(5-chloro-2-fluorophenyl)-3-pyridinyl]-4-methoxypyrido[3,2-d]pyrimidine?
The IUPAC name of 6-[2-(5-chloro-2-fluorophenyl)-3-pyridinyl]-4-methoxypyrido[3,2-d]pyrimidine (CID 118437807) is 6-[2-(5-chloro-2-fluorophenyl)-3-pyridinyl]-4-methoxypyrido[3,2-d]pyrimidine.
What is the SMILES notation for 6-[2-(5-chloro-2-fluorophenyl)-3-pyridinyl]-4-methoxypyrido[3,2-d]pyrimidine?
The canonical SMILES for 6-[2-(5-chloro-2-fluorophenyl)-3-pyridinyl]-4-methoxypyrido[3,2-d]pyrimidine is COc1ncnc2ccc(-c3cccnc3-c3cc(Cl)ccc3F)nc12.
What is the InChIKey of 6-[2-(5-chloro-2-fluorophenyl)-3-pyridinyl]-4-methoxypyrido[3,2-d]pyrimidine?
The InChIKey is SNUXJSBKXCANON-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12ClFN4O/c1-26-19-18-16(23-10-24-19)7-6-15(25-18)12-3-2-8-22-17(12)13-9-11(20)4-5-14(13)21/h2-10H,1H3.
What are the key properties of 6-[2-(5-chloro-2-fluorophenyl)-3-pyridinyl]-4-methoxypyrido[3,2-d]pyrimidine?
6-[2-(5-chloro-2-fluorophenyl)-3-pyridinyl]-4-methoxypyrido[3,2-d]pyrimidine has a molecular weight of 366.78 g/mol, XLogP of 4.55, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(5-chloro-2-fluorophenyl)-3-pyridinyl]-4-methoxypyrido[3,2-d]pyrimidine is sourced from PubChem (CID 118437807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).