2-chloro-4-methoxypyrido[2,3-d]pyrimidine

C8H6ClN3O — CID 154723223

IUPAC2-chloro-4-methoxypyrido[2,3-d]pyrimidine
SMILESCOc1nc(Cl)nc2ncccc12
InChIInChI=1S/C8H6ClN3O/c1-13-7-5-3-2-4-10-6(5)11-8(9)12-7/h2-4H,1H3
InChIKeyLCEAIFCTDWOPAM-UHFFFAOYSA-N
MW195.61 g/mol
LogP1.69
Rot. Bonds1

About 2-chloro-4-methoxypyrido[2,3-d]pyrimidine

2-chloro-4-methoxypyrido[2,3-d]pyrimidine (PubChem CID 154723223) has the molecular formula C8H6ClN3O and a molecular weight of 195.61 g/mol. Its IUPAC name is 2-chloro-4-methoxypyrido[2,3-d]pyrimidine.

Molecular Properties

Compound Name2-chloro-4-methoxypyrido[2,3-d]pyrimidine
PubChem CID154723223
Molecular FormulaC8H6ClN3O
Molecular Weight195.61 g/mol
Exact Mass195.02
IUPAC Name2-chloro-4-methoxypyrido[2,3-d]pyrimidine
SMILESCOc1nc(Cl)nc2ncccc12
InChIInChI=1S/C8H6ClN3O/c1-13-7-5-3-2-4-10-6(5)11-8(9)12-7/h2-4H,1H3
InChIKeyLCEAIFCTDWOPAM-UHFFFAOYSA-N
XLogP1.69
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.61
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-methoxypyrido[2,3-d]pyrimidine?
The IUPAC name of 2-chloro-4-methoxypyrido[2,3-d]pyrimidine (CID 154723223) is 2-chloro-4-methoxypyrido[2,3-d]pyrimidine.
What is the SMILES notation for 2-chloro-4-methoxypyrido[2,3-d]pyrimidine?
The canonical SMILES for 2-chloro-4-methoxypyrido[2,3-d]pyrimidine is COc1nc(Cl)nc2ncccc12.
What is the InChIKey of 2-chloro-4-methoxypyrido[2,3-d]pyrimidine?
The InChIKey is LCEAIFCTDWOPAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6ClN3O/c1-13-7-5-3-2-4-10-6(5)11-8(9)12-7/h2-4H,1H3.
What are the key properties of 2-chloro-4-methoxypyrido[2,3-d]pyrimidine?
2-chloro-4-methoxypyrido[2,3-d]pyrimidine has a molecular weight of 195.61 g/mol, XLogP of 1.69, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-methoxypyrido[2,3-d]pyrimidine is sourced from PubChem (CID 154723223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).