2-chloro-1-phenylpyrrolo[3,2-b]pyridine-3-carbaldehyde

C14H9ClN2O — CID 87205998

IUPAC2-chloro-1-phenylpyrrolo[3,2-b]pyridine-3-carbaldehyde
SMILESO=Cc1c(Cl)n(-c2ccccc2)c2cccnc12
InChIInChI=1S/C14H9ClN2O/c15-14-11(9-18)13-12(7-4-8-16-13)17(14)10-5-2-1-3-6-10/h1-9H
InChIKeySCOHQWSQGWIMEI-UHFFFAOYSA-N
MW256.69 g/mol
LogP3.49
Rot. Bonds2

About 2-chloro-1-phenylpyrrolo[3,2-b]pyridine-3-carbaldehyde

2-chloro-1-phenylpyrrolo[3,2-b]pyridine-3-carbaldehyde (PubChem CID 87205998) has the molecular formula C14H9ClN2O and a molecular weight of 256.69 g/mol. Its IUPAC name is 2-chloro-1-phenylpyrrolo[3,2-b]pyridine-3-carbaldehyde.

Molecular Properties

Compound Name2-chloro-1-phenylpyrrolo[3,2-b]pyridine-3-carbaldehyde
PubChem CID87205998
Molecular FormulaC14H9ClN2O
Molecular Weight256.69 g/mol
Exact Mass256.04
IUPAC Name2-chloro-1-phenylpyrrolo[3,2-b]pyridine-3-carbaldehyde
SMILESO=Cc1c(Cl)n(-c2ccccc2)c2cccnc12
InChIInChI=1S/C14H9ClN2O/c15-14-11(9-18)13-12(7-4-8-16-13)17(14)10-5-2-1-3-6-10/h1-9H
InChIKeySCOHQWSQGWIMEI-UHFFFAOYSA-N
XLogP3.49
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.69
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-1-pyridin-3-ylpyrrolo[2,3-b]pyridine-3-carbaldehyde
CID 59754755
4-methyl-8-phenyl-3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
CID 58704078
23-phenyl-6,9,23-triazahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1,3,5,7,9,11,13,15,17,19,21,24-dodecaene
CID 140956768
6-cyclopropyl-5-phenylpyrrolo[2,3-b]pyrazine-7-carbaldehyde
CID 166105354
23-phenyl-6,23-diazahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2(7),3,5,8,10,12,14,16(24),17,19,21-dodecaene
CID 140956310
3,24-diphenyl-3,12,24-triazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1,4,6,8,10,12,14,16,18,20,22-undecaene
CID 122523763
3-benzyl-5-phenyl-2H-pyrazolo[4,3-c][1,5]naphthyridin-4-one
CID 68946444
5-[4-[4-(4-pyrido[3,2-b]indol-5-ylphenyl)phenyl]phenyl]pyrido[3,2-b]indole
CID 147682919
bis(7-(3,5-diphenylphenyl)-5-phenyl-9H-pyrido[3,2-b]indol-9-ide);platinum(2+)
CID 59459810
5-chloro-1,3-diphenylpyrazole-4-carbaldehyde
CID 736659
9-phenylpyrido[2,3-b]indole
CID 15939260
5-chloro-1-phenyl-3-pyridin-4-ylpyrazole-4-carbaldehyde
CID 86037887

Frequently Asked Questions

What is the IUPAC name of 2-chloro-1-phenylpyrrolo[3,2-b]pyridine-3-carbaldehyde?
The IUPAC name of 2-chloro-1-phenylpyrrolo[3,2-b]pyridine-3-carbaldehyde (CID 87205998) is 2-chloro-1-phenylpyrrolo[3,2-b]pyridine-3-carbaldehyde.
What is the SMILES notation for 2-chloro-1-phenylpyrrolo[3,2-b]pyridine-3-carbaldehyde?
The canonical SMILES for 2-chloro-1-phenylpyrrolo[3,2-b]pyridine-3-carbaldehyde is O=Cc1c(Cl)n(-c2ccccc2)c2cccnc12.
What is the InChIKey of 2-chloro-1-phenylpyrrolo[3,2-b]pyridine-3-carbaldehyde?
The InChIKey is SCOHQWSQGWIMEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClN2O/c15-14-11(9-18)13-12(7-4-8-16-13)17(14)10-5-2-1-3-6-10/h1-9H.
What are the key properties of 2-chloro-1-phenylpyrrolo[3,2-b]pyridine-3-carbaldehyde?
2-chloro-1-phenylpyrrolo[3,2-b]pyridine-3-carbaldehyde has a molecular weight of 256.69 g/mol, XLogP of 3.49, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1-phenylpyrrolo[3,2-b]pyridine-3-carbaldehyde is sourced from PubChem (CID 87205998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).