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

C13H9ClN4O — CID 154754059

IUPAC3-[(5-chloro-2-pyridinyl)methyl]pyrido[2,3-d]pyrimidin-4-one
SMILESO=c1c2cccnc2ncn1Cc1ccc(Cl)cn1
InChIInChI=1S/C13H9ClN4O/c14-9-3-4-10(16-6-9)7-18-8-17-12-11(13(18)19)2-1-5-15-12/h1-6,8H,7H2
InChIKeyXGHLAZCORNFSIU-UHFFFAOYSA-N
MW272.70 g/mol
LogP1.89
Rot. Bonds2

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

3-[(5-chloro-2-pyridinyl)methyl]pyrido[2,3-d]pyrimidin-4-one (PubChem CID 154754059) has the molecular formula C13H9ClN4O and a molecular weight of 272.70 g/mol. Its IUPAC name is 3-[(5-chloro-2-pyridinyl)methyl]pyrido[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name3-[(5-chloro-2-pyridinyl)methyl]pyrido[2,3-d]pyrimidin-4-one
PubChem CID154754059
Molecular FormulaC13H9ClN4O
Molecular Weight272.70 g/mol
Exact Mass272.05
IUPAC Name3-[(5-chloro-2-pyridinyl)methyl]pyrido[2,3-d]pyrimidin-4-one
SMILESO=c1c2cccnc2ncn1Cc1ccc(Cl)cn1
InChIInChI=1S/C13H9ClN4O/c14-9-3-4-10(16-6-9)7-18-8-17-12-11(13(18)19)2-1-5-15-12/h1-6,8H,7H2
InChIKeyXGHLAZCORNFSIU-UHFFFAOYSA-N
XLogP1.89
TPSA60.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.70
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[(5-chloro-2-pyridinyl)methyl]pyrido[2,3-d]pyrimidin-4-one?
The IUPAC name of 3-[(5-chloro-2-pyridinyl)methyl]pyrido[2,3-d]pyrimidin-4-one (CID 154754059) is 3-[(5-chloro-2-pyridinyl)methyl]pyrido[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 3-[(5-chloro-2-pyridinyl)methyl]pyrido[2,3-d]pyrimidin-4-one?
The canonical SMILES for 3-[(5-chloro-2-pyridinyl)methyl]pyrido[2,3-d]pyrimidin-4-one is O=c1c2cccnc2ncn1Cc1ccc(Cl)cn1.
What is the InChIKey of 3-[(5-chloro-2-pyridinyl)methyl]pyrido[2,3-d]pyrimidin-4-one?
The InChIKey is XGHLAZCORNFSIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClN4O/c14-9-3-4-10(16-6-9)7-18-8-17-12-11(13(18)19)2-1-5-15-12/h1-6,8H,7H2.
What are the key properties of 3-[(5-chloro-2-pyridinyl)methyl]pyrido[2,3-d]pyrimidin-4-one?
3-[(5-chloro-2-pyridinyl)methyl]pyrido[2,3-d]pyrimidin-4-one has a molecular weight of 272.70 g/mol, XLogP of 1.89, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-chloro-2-pyridinyl)methyl]pyrido[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 154754059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).