5-[(5-chloroquinolin-8-yl)amino]pyridine-2-carbonitrile

C15H9ClN4 — CID 116784530

IUPAC5-[(5-chloroquinolin-8-yl)amino]pyridine-2-carbonitrile
SMILESN#Cc1ccc(Nc2ccc(Cl)c3cccnc23)cn1
InChIInChI=1S/C15H9ClN4/c16-13-5-6-14(15-12(13)2-1-7-18-15)20-11-4-3-10(8-17)19-9-11/h1-7,9,20H
InChIKeyBCKUCKCIAOCHHK-UHFFFAOYSA-N
MW280.72 g/mol
LogP3.90
Rot. Bonds2

About 5-[(5-chloroquinolin-8-yl)amino]pyridine-2-carbonitrile

5-[(5-chloroquinolin-8-yl)amino]pyridine-2-carbonitrile (PubChem CID 116784530) has the molecular formula C15H9ClN4 and a molecular weight of 280.72 g/mol. Its IUPAC name is 5-[(5-chloroquinolin-8-yl)amino]pyridine-2-carbonitrile.

Molecular Properties

Compound Name5-[(5-chloroquinolin-8-yl)amino]pyridine-2-carbonitrile
PubChem CID116784530
Molecular FormulaC15H9ClN4
Molecular Weight280.72 g/mol
Exact Mass280.05
IUPAC Name5-[(5-chloroquinolin-8-yl)amino]pyridine-2-carbonitrile
SMILESN#Cc1ccc(Nc2ccc(Cl)c3cccnc23)cn1
InChIInChI=1S/C15H9ClN4/c16-13-5-6-14(15-12(13)2-1-7-18-15)20-11-4-3-10(8-17)19-9-11/h1-7,9,20H
InChIKeyBCKUCKCIAOCHHK-UHFFFAOYSA-N
XLogP3.90
TPSA61.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.72
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(5-chloroquinolin-8-yl)amino]-2-fluorobenzonitrile
CID 116784522
2-[(5-chloroquinolin-8-yl)amino]pyridine-3-carbonitrile
CID 116784510
5-(3,4-dichloroanilino)pyridine-2-carbonitrile
CID 113320534
2-bromo-6-[(5-chloroquinolin-8-yl)amino]benzonitrile
CID 114881447
5-(5-amino-2-chloroanilino)pyridine-2-carbonitrile
CID 115490340
2-[(5-chloroquinolin-8-yl)amino]-6-methylpyridine-4-carbonitrile
CID 114766696
5-chloro-N-(2,5-dichloropyrimidin-4-yl)quinolin-8-amine
CID 116785190
3-N-(5-chloroquinolin-8-yl)-5-methylbenzene-1,3-diamine
CID 116783012
4-[[(5-chloroquinolin-8-yl)amino]methyl]benzonitrile
CID 60927125
5-(2-bromoanilino)pyridine-2-carbonitrile
CID 115487447
2-N-(5-chloroquinolin-8-yl)-1,3-thiazole-2,5-diamine
CID 102769112
1-N-(5-chloroquinolin-8-yl)-4-fluorobenzene-1,2-diamine
CID 116782991

Frequently Asked Questions

What is the IUPAC name of 5-[(5-chloroquinolin-8-yl)amino]pyridine-2-carbonitrile?
The IUPAC name of 5-[(5-chloroquinolin-8-yl)amino]pyridine-2-carbonitrile (CID 116784530) is 5-[(5-chloroquinolin-8-yl)amino]pyridine-2-carbonitrile.
What is the SMILES notation for 5-[(5-chloroquinolin-8-yl)amino]pyridine-2-carbonitrile?
The canonical SMILES for 5-[(5-chloroquinolin-8-yl)amino]pyridine-2-carbonitrile is N#Cc1ccc(Nc2ccc(Cl)c3cccnc23)cn1.
What is the InChIKey of 5-[(5-chloroquinolin-8-yl)amino]pyridine-2-carbonitrile?
The InChIKey is BCKUCKCIAOCHHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9ClN4/c16-13-5-6-14(15-12(13)2-1-7-18-15)20-11-4-3-10(8-17)19-9-11/h1-7,9,20H.
What are the key properties of 5-[(5-chloroquinolin-8-yl)amino]pyridine-2-carbonitrile?
5-[(5-chloroquinolin-8-yl)amino]pyridine-2-carbonitrile has a molecular weight of 280.72 g/mol, XLogP of 3.90, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5-chloroquinolin-8-yl)amino]pyridine-2-carbonitrile is sourced from PubChem (CID 116784530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).