1-chloro-8-pyridin-3-ylchromeno[3,2-c]pyridin-10-one

C17H9ClN2O2 — CID 58466246

IUPAC1-chloro-8-pyridin-3-ylchromeno[3,2-c]pyridin-10-one
SMILESO=c1c2cc(-c3cccnc3)ccc2oc2ccnc(Cl)c12
InChIInChI=1S/C17H9ClN2O2/c18-17-15-14(5-7-20-17)22-13-4-3-10(8-12(13)16(15)21)11-2-1-6-19-9-11/h1-9H
InChIKeyXGDJAPWIXXJZNH-UHFFFAOYSA-N
MW308.72 g/mol
LogP4.06
Rot. Bonds1

About 1-chloro-8-pyridin-3-ylchromeno[3,2-c]pyridin-10-one

1-chloro-8-pyridin-3-ylchromeno[3,2-c]pyridin-10-one (PubChem CID 58466246) has the molecular formula C17H9ClN2O2 and a molecular weight of 308.72 g/mol. Its IUPAC name is 1-chloro-8-pyridin-3-ylchromeno[3,2-c]pyridin-10-one.

Molecular Properties

Compound Name1-chloro-8-pyridin-3-ylchromeno[3,2-c]pyridin-10-one
PubChem CID58466246
Molecular FormulaC17H9ClN2O2
Molecular Weight308.72 g/mol
Exact Mass308.04
IUPAC Name1-chloro-8-pyridin-3-ylchromeno[3,2-c]pyridin-10-one
SMILESO=c1c2cc(-c3cccnc3)ccc2oc2ccnc(Cl)c12
InChIInChI=1S/C17H9ClN2O2/c18-17-15-14(5-7-20-17)22-13-4-3-10(8-12(13)16(15)21)11-2-1-6-19-9-11/h1-9H
InChIKeyXGDJAPWIXXJZNH-UHFFFAOYSA-N
XLogP4.06
TPSA55.99 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.72
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

8-[3-[3-[3-[3-([1]benzofuro[3,2-c]pyridin-8-yl)phenyl]phenyl]phenyl]phenyl]-[1]benzofuro[3,2-c]pyridine
CID 90265596
8-[3-[8-([1]benzofuro[3,2-c]pyridin-8-yl)dibenzofuran-2-yl]phenyl]-[1]benzofuro[3,2-c]pyridine
CID 90291990
5-hydroxy-3-pyridin-3-ylxanthen-9-one
CID 57436677
3-pyridin-3-yl-9-(8-pyridin-3-yldibenzofuran-2-yl)carbazole
CID 163439035
6-pyridin-3-yl-3H-1,3-benzoxazol-2-one
CID 58255623
2,10-bis(4-phenylphenyl)chromeno[2,3-a]xanthene-8,14-dione
CID 170440757
2,10-bis(3,5-diphenylphenyl)chromeno[2,3-a]xanthene-8,14-dione
CID 170440758
10-[8-(4,6-dipyridin-3-yl-2-pyridinyl)dibenzofuran-2-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene
CID 163524255
4-(4-dibenzofuran-2-ylphenyl)-6-(4-phenylphenyl)-2-(2-pyridin-3-ylphenyl)pyrimidine
CID 130262345
3-[4-(10,15,26-trioxaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(27),20,22,24-dodecaen-18-yl)phenyl]pyridine
CID 138651410
4-[3-dibenzofuran-2-yl-5-(3-phenylphenyl)phenyl]-2-phenyl-6-(3-pyridin-3-ylphenyl)pyrimidine
CID 171583697
4-(4-dibenzofuran-2-ylphenyl)-6-(4-naphthalen-2-ylphenyl)-2-(3-pyridin-3-ylphenyl)pyrimidine
CID 130262931

Frequently Asked Questions

What is the IUPAC name of 1-chloro-8-pyridin-3-ylchromeno[3,2-c]pyridin-10-one?
The IUPAC name of 1-chloro-8-pyridin-3-ylchromeno[3,2-c]pyridin-10-one (CID 58466246) is 1-chloro-8-pyridin-3-ylchromeno[3,2-c]pyridin-10-one.
What is the SMILES notation for 1-chloro-8-pyridin-3-ylchromeno[3,2-c]pyridin-10-one?
The canonical SMILES for 1-chloro-8-pyridin-3-ylchromeno[3,2-c]pyridin-10-one is O=c1c2cc(-c3cccnc3)ccc2oc2ccnc(Cl)c12.
What is the InChIKey of 1-chloro-8-pyridin-3-ylchromeno[3,2-c]pyridin-10-one?
The InChIKey is XGDJAPWIXXJZNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H9ClN2O2/c18-17-15-14(5-7-20-17)22-13-4-3-10(8-12(13)16(15)21)11-2-1-6-19-9-11/h1-9H.
What are the key properties of 1-chloro-8-pyridin-3-ylchromeno[3,2-c]pyridin-10-one?
1-chloro-8-pyridin-3-ylchromeno[3,2-c]pyridin-10-one has a molecular weight of 308.72 g/mol, XLogP of 4.06, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-8-pyridin-3-ylchromeno[3,2-c]pyridin-10-one is sourced from PubChem (CID 58466246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).