2-(5-chloro-7H-pyrrolo[2,3-c]pyridazin-3-yl)phenol

C12H8ClN3O — CID 163374209

IUPAC2-(5-chloro-7H-pyrrolo[2,3-c]pyridazin-3-yl)phenol
SMILESOc1ccccc1-c1cc2c(Cl)c[nH]c2nn1
InChIInChI=1S/C12H8ClN3O/c13-9-6-14-12-8(9)5-10(15-16-12)7-3-1-2-4-11(7)17/h1-6,17H,(H,14,16)
InChIKeyKSZYDWOSFLKZHY-UHFFFAOYSA-N
MW245.67 g/mol
LogP2.98
Rot. Bonds1

About 2-(5-chloro-7H-pyrrolo[2,3-c]pyridazin-3-yl)phenol

2-(5-chloro-7H-pyrrolo[2,3-c]pyridazin-3-yl)phenol (PubChem CID 163374209) has the molecular formula C12H8ClN3O and a molecular weight of 245.67 g/mol. Its IUPAC name is 2-(5-chloro-7H-pyrrolo[2,3-c]pyridazin-3-yl)phenol.

Molecular Properties

Compound Name2-(5-chloro-7H-pyrrolo[2,3-c]pyridazin-3-yl)phenol
PubChem CID163374209
Molecular FormulaC12H8ClN3O
Molecular Weight245.67 g/mol
Exact Mass245.04
IUPAC Name2-(5-chloro-7H-pyrrolo[2,3-c]pyridazin-3-yl)phenol
SMILESOc1ccccc1-c1cc2c(Cl)c[nH]c2nn1
InChIInChI=1S/C12H8ClN3O/c13-9-6-14-12-8(9)5-10(15-16-12)7-3-1-2-4-11(7)17/h1-6,17H,(H,14,16)
InChIKeyKSZYDWOSFLKZHY-UHFFFAOYSA-N
XLogP2.98
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.67
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-[3-(2-hydroxyphenyl)-7H-pyrrolo[2,3-c]pyridazin-5-yl]piperidin-1-yl]ethanone
CID 163374374
2-[3-[3-(2-hydroxyphenyl)-7H-pyrrolo[2,3-c]pyridazin-5-yl]azetidin-1-yl]-2-oxoacetic acid
CID 163374448
2-[3-[3-(2-hydroxyphenyl)-7H-pyrrolo[2,3-c]pyridazin-5-yl]azetidin-1-yl]-N,N-dimethylacetamide
CID 163374336
2-(5-bromo-7H-pyrrolo[2,3-c]pyridazin-3-yl)phenol;1-pyrrolidin-1-ylprop-2-en-1-one
CID 177024163
3-(2-hydroxyphenyl)-9H-pyridazino[3,4-b]indole-6-carboxylic acid
CID 167081094
1-[3-[5-bromo-3-(2-hydroxyphenyl)-7H-pyrrolo[2,3-c]pyridazin-6-yl]azetidin-1-yl]ethanone
CID 170549818
11-(2-hydroxyphenyl)-4,7,9,10-tetrazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraene-4-carboxylic acid
CID 175463999
12-(2-hydroxyphenyl)-4,8,10,11-tetrazatricyclo[7.4.0.02,6]trideca-1(13),2(6),9,11-tetraene-3,7-dione
CID 156562164
2-[5-[1-[5-(3-aminopropyl)pyrimidin-2-yl]piperidin-4-yl]-7H-pyrrolo[2,3-c]pyridazin-3-yl]phenol
CID 155391876
1-[12-(2-hydroxyphenyl)-4,8,10,11-tetrazatricyclo[7.4.0.02,7]trideca-1(13),2(7),9,11-tetraen-4-yl]ethanone
CID 163374412
2-(5-piperidin-4-yl-4,5,7,9,10-pentazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),3,8,10-pentaen-11-yl)phenol
CID 170625362
1-[3-[5-chloro-3-(2-hydroxyphenyl)-7H-pyrrolo[2,3-c]pyridazin-6-yl]morpholin-4-yl]prop-2-en-1-one
CID 177023442

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-7H-pyrrolo[2,3-c]pyridazin-3-yl)phenol?
The IUPAC name of 2-(5-chloro-7H-pyrrolo[2,3-c]pyridazin-3-yl)phenol (CID 163374209) is 2-(5-chloro-7H-pyrrolo[2,3-c]pyridazin-3-yl)phenol.
What is the SMILES notation for 2-(5-chloro-7H-pyrrolo[2,3-c]pyridazin-3-yl)phenol?
The canonical SMILES for 2-(5-chloro-7H-pyrrolo[2,3-c]pyridazin-3-yl)phenol is Oc1ccccc1-c1cc2c(Cl)c[nH]c2nn1.
What is the InChIKey of 2-(5-chloro-7H-pyrrolo[2,3-c]pyridazin-3-yl)phenol?
The InChIKey is KSZYDWOSFLKZHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8ClN3O/c13-9-6-14-12-8(9)5-10(15-16-12)7-3-1-2-4-11(7)17/h1-6,17H,(H,14,16).
What are the key properties of 2-(5-chloro-7H-pyrrolo[2,3-c]pyridazin-3-yl)phenol?
2-(5-chloro-7H-pyrrolo[2,3-c]pyridazin-3-yl)phenol has a molecular weight of 245.67 g/mol, XLogP of 2.98, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-7H-pyrrolo[2,3-c]pyridazin-3-yl)phenol is sourced from PubChem (CID 163374209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).