7-chlorocinnolin-4-amine

C8H6ClN3 — CID 10511562

IUPAC7-chlorocinnolin-4-amine
SMILESNc1cnnc2cc(Cl)ccc12
InChIInChI=1S/C8H6ClN3/c9-5-1-2-6-7(10)4-11-12-8(6)3-5/h1-4H,(H2,10,12)
InChIKeyQCANXZCMQFTPAA-UHFFFAOYSA-N
MW179.61 g/mol
LogP1.87
Rot. Bonds

About 7-chlorocinnolin-4-amine

7-chlorocinnolin-4-amine (PubChem CID 10511562) has the molecular formula C8H6ClN3 and a molecular weight of 179.61 g/mol. Its IUPAC name is 7-chlorocinnolin-4-amine.

Molecular Properties

Compound Name7-chlorocinnolin-4-amine
PubChem CID10511562
Molecular FormulaC8H6ClN3
Molecular Weight179.61 g/mol
Exact Mass179.03
IUPAC Name7-chlorocinnolin-4-amine
SMILESNc1cnnc2cc(Cl)ccc12
InChIInChI=1S/C8H6ClN3/c9-5-1-2-6-7(10)4-11-12-8(6)3-5/h1-4H,(H2,10,12)
InChIKeyQCANXZCMQFTPAA-UHFFFAOYSA-N
XLogP1.87
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.61
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

cinnolin-4-amine;hydrochloride
CID 171504338
6-chloronaphthalene-1,4-diamine
CID 21424529
7-chloroquinazolin-2-amine
CID 10678921
3-amino-7-chloro-1,2,3-benzotriazin-4-one
CID 171985660
5-fluorocinnolin-4-amine
CID 169496265
7-chlorocinnoline
CID 21449408
5-chloro-3-(2-fluorophenyl)pyridazine
CID 117107044
4-(7-chlorophthalazin-1-yl)aniline
CID 10890498
1-chloro-5,6-difluorophthalazine
CID 167716175
4,7-dichloroisoquinolin-1-amine
CID 133054133
7-chloro-4-[(4-chlorophenyl)methylsulfanyl]quinolin-3-amine
CID 15006897
3,6-dichloro-2,1-benzoxazole
CID 67983088

Frequently Asked Questions

What is the IUPAC name of 7-chlorocinnolin-4-amine?
The IUPAC name of 7-chlorocinnolin-4-amine (CID 10511562) is 7-chlorocinnolin-4-amine.
What is the SMILES notation for 7-chlorocinnolin-4-amine?
The canonical SMILES for 7-chlorocinnolin-4-amine is Nc1cnnc2cc(Cl)ccc12.
What is the InChIKey of 7-chlorocinnolin-4-amine?
The InChIKey is QCANXZCMQFTPAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6ClN3/c9-5-1-2-6-7(10)4-11-12-8(6)3-5/h1-4H,(H2,10,12).
What are the key properties of 7-chlorocinnolin-4-amine?
7-chlorocinnolin-4-amine has a molecular weight of 179.61 g/mol, XLogP of 1.87, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chlorocinnolin-4-amine is sourced from PubChem (CID 10511562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).