2-chloro-3-pyridin-2-ylbenzo[f]quinoxaline

C17H10ClN3 — CID 146554889

IUPAC2-chloro-3-pyridin-2-ylbenzo[f]quinoxaline
SMILESClc1nc2c(ccc3ccccc32)nc1-c1ccccn1
InChIInChI=1S/C17H10ClN3/c18-17-16(13-7-3-4-10-19-13)20-14-9-8-11-5-1-2-6-12(11)15(14)21-17/h1-10H
InChIKeyIKVSQSCGPXHAKD-UHFFFAOYSA-N
MW291.74 g/mol
LogP4.50
Rot. Bonds1

About 2-chloro-3-pyridin-2-ylbenzo[f]quinoxaline

2-chloro-3-pyridin-2-ylbenzo[f]quinoxaline (PubChem CID 146554889) has the molecular formula C17H10ClN3 and a molecular weight of 291.74 g/mol. Its IUPAC name is 2-chloro-3-pyridin-2-ylbenzo[f]quinoxaline.

Molecular Properties

Compound Name2-chloro-3-pyridin-2-ylbenzo[f]quinoxaline
PubChem CID146554889
Molecular FormulaC17H10ClN3
Molecular Weight291.74 g/mol
Exact Mass291.06
IUPAC Name2-chloro-3-pyridin-2-ylbenzo[f]quinoxaline
SMILESClc1nc2c(ccc3ccccc32)nc1-c1ccccn1
InChIInChI=1S/C17H10ClN3/c18-17-16(13-7-3-4-10-19-13)20-14-9-8-11-5-1-2-6-12(11)15(14)21-17/h1-10H
InChIKeyIKVSQSCGPXHAKD-UHFFFAOYSA-N
XLogP4.50
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.74
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

2-chloro-3-naphthalen-2-ylbenzo[f]quinoxaline
CID 134182583
2,6-dichloro-3-pyridin-2-ylquinoxaline
CID 556140
2,13-diazapentacyclo[12.8.0.03,12.04,9.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene
CID 9184
4-chloro-2-pyridin-2-ylquinazoline
CID 930716
2-chloro-3-(4-pyridin-2-ylphenyl)-[1]benzofuro[2,3-b]pyrazine
CID 137424596
1-(4-pyridin-2-ylphenyl)isoquinoline
CID 58947156
2-chloro-4-pyridin-2-ylphenanthro[9,10-d]pyrimidine
CID 122605240
2,3-dipyridin-2-ylquinoxaline;platinum(2+);bis(2-pyridin-2-ylpyridine);ruthenium(2+)
CID 50910408
3-(3-pyridin-2-ylphenyl)benzo[h]quinoline
CID 176728682
methane;6-pyridin-2-ylbenzo[k]phenanthridine;6-thiophen-2-ylbenzo[k]phenanthridine
CID 157426310
CID 87856781
CID 87856781
benzo[h]quinoline;naphthalene
CID 175017782

Frequently Asked Questions

What is the IUPAC name of 2-chloro-3-pyridin-2-ylbenzo[f]quinoxaline?
The IUPAC name of 2-chloro-3-pyridin-2-ylbenzo[f]quinoxaline (CID 146554889) is 2-chloro-3-pyridin-2-ylbenzo[f]quinoxaline.
What is the SMILES notation for 2-chloro-3-pyridin-2-ylbenzo[f]quinoxaline?
The canonical SMILES for 2-chloro-3-pyridin-2-ylbenzo[f]quinoxaline is Clc1nc2c(ccc3ccccc32)nc1-c1ccccn1.
What is the InChIKey of 2-chloro-3-pyridin-2-ylbenzo[f]quinoxaline?
The InChIKey is IKVSQSCGPXHAKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10ClN3/c18-17-16(13-7-3-4-10-19-13)20-14-9-8-11-5-1-2-6-12(11)15(14)21-17/h1-10H.
What are the key properties of 2-chloro-3-pyridin-2-ylbenzo[f]quinoxaline?
2-chloro-3-pyridin-2-ylbenzo[f]quinoxaline has a molecular weight of 291.74 g/mol, XLogP of 4.50, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3-pyridin-2-ylbenzo[f]quinoxaline is sourced from PubChem (CID 146554889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).