4-[(5-chloro-2-pyridinyl)methyl]-2-methyl-3-oxopyrido[2,3-b]pyrazine-7-carbaldehyde

C15H11ClN4O2 — CID 177220531

IUPAC4-[(5-chloro-2-pyridinyl)methyl]-2-methyl-3-oxopyrido[2,3-b]pyrazine-7-carbaldehyde
SMILESCc1nc2cc(C=O)cnc2n(Cc2ccc(Cl)cn2)c1=O
InChIInChI=1S/C15H11ClN4O2/c1-9-15(22)20(7-12-3-2-11(16)6-17-12)14-13(19-9)4-10(8-21)5-18-14/h2-6,8H,7H2,1H3
InChIKeyBGZSCEFHQFLOBS-UHFFFAOYSA-N
MW314.73 g/mol
LogP2.01
Rot. Bonds3

About 4-[(5-chloro-2-pyridinyl)methyl]-2-methyl-3-oxopyrido[2,3-b]pyrazine-7-carbaldehyde

4-[(5-chloro-2-pyridinyl)methyl]-2-methyl-3-oxopyrido[2,3-b]pyrazine-7-carbaldehyde (PubChem CID 177220531) has the molecular formula C15H11ClN4O2 and a molecular weight of 314.73 g/mol. Its IUPAC name is 4-[(5-chloro-2-pyridinyl)methyl]-2-methyl-3-oxopyrido[2,3-b]pyrazine-7-carbaldehyde.

Molecular Properties

Compound Name4-[(5-chloro-2-pyridinyl)methyl]-2-methyl-3-oxopyrido[2,3-b]pyrazine-7-carbaldehyde
PubChem CID177220531
Molecular FormulaC15H11ClN4O2
Molecular Weight314.73 g/mol
Exact Mass314.06
IUPAC Name4-[(5-chloro-2-pyridinyl)methyl]-2-methyl-3-oxopyrido[2,3-b]pyrazine-7-carbaldehyde
SMILESCc1nc2cc(C=O)cnc2n(Cc2ccc(Cl)cn2)c1=O
InChIInChI=1S/C15H11ClN4O2/c1-9-15(22)20(7-12-3-2-11(16)6-17-12)14-13(19-9)4-10(8-21)5-18-14/h2-6,8H,7H2,1H3
InChIKeyBGZSCEFHQFLOBS-UHFFFAOYSA-N
XLogP2.01
TPSA77.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.73
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

6-chloro-1-[(5-chloro-2-pyridinyl)methyl]-5-methoxy-2-methylindole
CID 141347661
1-[(2-chloro-1,3-thiazol-5-yl)methyl]-3-methylquinoxalin-2-one
CID 79765497
6-chloro-3-methylquinoxaline-2-carbaldehyde
CID 132512658
3-benzyl-6-chloro-2-methylimidazo[4,5-b]pyridine
CID 135336062
7-[(5-chloro-2-pyridinyl)methyl]-1-(3-hydroxypropyl)-3-methyl-8-(4-methylphenyl)purine-2,6-dione
CID 90402663
1-(5-chloro-3-pyridinyl)pyrrolo[2,3-b]pyridine-5-carbaldehyde
CID 156810814
7-[(5-chloro-2-pyridinyl)methyl]-1-(3-hydroxypropyl)-3-methyl-8-(3-phenylphenyl)purine-2,6-dione
CID 90440884
1-[(5-chloro-2-pyridinyl)methyl]-3-methylpyrazol-4-amine
CID 165471981
1-[(5-chloropyrimidin-2-yl)methyl]-3-methyl-2,4-dioxoquinazoline-6-carbaldehyde
CID 178020479
6-methyl-2-(4-methylpiperazin-1-yl)-8-(thiophen-2-ylmethyl)pteridin-7-one
CID 3232712
1-benzyl-3-methylquinoxalin-2-one
CID 139051924
1-[[1-[(5-chloro-2-pyridinyl)methyl]benzimidazol-2-yl]amino]propan-2-ol
CID 75478647

Frequently Asked Questions

What is the IUPAC name of 4-[(5-chloro-2-pyridinyl)methyl]-2-methyl-3-oxopyrido[2,3-b]pyrazine-7-carbaldehyde?
The IUPAC name of 4-[(5-chloro-2-pyridinyl)methyl]-2-methyl-3-oxopyrido[2,3-b]pyrazine-7-carbaldehyde (CID 177220531) is 4-[(5-chloro-2-pyridinyl)methyl]-2-methyl-3-oxopyrido[2,3-b]pyrazine-7-carbaldehyde.
What is the SMILES notation for 4-[(5-chloro-2-pyridinyl)methyl]-2-methyl-3-oxopyrido[2,3-b]pyrazine-7-carbaldehyde?
The canonical SMILES for 4-[(5-chloro-2-pyridinyl)methyl]-2-methyl-3-oxopyrido[2,3-b]pyrazine-7-carbaldehyde is Cc1nc2cc(C=O)cnc2n(Cc2ccc(Cl)cn2)c1=O.
What is the InChIKey of 4-[(5-chloro-2-pyridinyl)methyl]-2-methyl-3-oxopyrido[2,3-b]pyrazine-7-carbaldehyde?
The InChIKey is BGZSCEFHQFLOBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClN4O2/c1-9-15(22)20(7-12-3-2-11(16)6-17-12)14-13(19-9)4-10(8-21)5-18-14/h2-6,8H,7H2,1H3.
What are the key properties of 4-[(5-chloro-2-pyridinyl)methyl]-2-methyl-3-oxopyrido[2,3-b]pyrazine-7-carbaldehyde?
4-[(5-chloro-2-pyridinyl)methyl]-2-methyl-3-oxopyrido[2,3-b]pyrazine-7-carbaldehyde has a molecular weight of 314.73 g/mol, XLogP of 2.01, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-chloro-2-pyridinyl)methyl]-2-methyl-3-oxopyrido[2,3-b]pyrazine-7-carbaldehyde is sourced from PubChem (CID 177220531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).