5-(2-chlorophenyl)-6-(hydroxymethyl)-1H-pyrazolo[4,5-c]pyridin-4-one

C13H10ClN3O2 — CID 141377745

IUPAC5-(2-chlorophenyl)-6-(hydroxymethyl)-1H-pyrazolo[4,5-c]pyridin-4-one
SMILESO=c1c2cn[nH]c2cc(CO)n1-c1ccccc1Cl
InChIInChI=1S/C13H10ClN3O2/c14-10-3-1-2-4-12(10)17-8(7-18)5-11-9(13(17)19)6-15-16-11/h1-6,18H,7H2,(H,15,16)
InChIKeyOYEVMMRFOFFCAH-UHFFFAOYSA-N
MW275.69 g/mol
LogP1.86
Rot. Bonds2

About 5-(2-chlorophenyl)-6-(hydroxymethyl)-1H-pyrazolo[4,5-c]pyridin-4-one

5-(2-chlorophenyl)-6-(hydroxymethyl)-1H-pyrazolo[4,5-c]pyridin-4-one (PubChem CID 141377745) has the molecular formula C13H10ClN3O2 and a molecular weight of 275.69 g/mol. Its IUPAC name is 5-(2-chlorophenyl)-6-(hydroxymethyl)-1H-pyrazolo[4,5-c]pyridin-4-one.

Molecular Properties

Compound Name5-(2-chlorophenyl)-6-(hydroxymethyl)-1H-pyrazolo[4,5-c]pyridin-4-one
PubChem CID141377745
Molecular FormulaC13H10ClN3O2
Molecular Weight275.69 g/mol
Exact Mass275.05
IUPAC Name5-(2-chlorophenyl)-6-(hydroxymethyl)-1H-pyrazolo[4,5-c]pyridin-4-one
SMILESO=c1c2cn[nH]c2cc(CO)n1-c1ccccc1Cl
InChIInChI=1S/C13H10ClN3O2/c14-10-3-1-2-4-12(10)17-8(7-18)5-11-9(13(17)19)6-15-16-11/h1-6,18H,7H2,(H,15,16)
InChIKeyOYEVMMRFOFFCAH-UHFFFAOYSA-N
XLogP1.86
TPSA70.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.69
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

7-bromo-3-(2-chlorophenyl)-2-sulfanylidene-1H-quinazolin-4-one
CID 177325807
8-chloro-3-(2-chlorophenyl)-1H-quinazoline-2,4-dione
CID 117261960
2-[[5-(2-chlorophenyl)-4-oxo-1H-pyrazolo[5,4-d]pyrimidin-6-yl]sulfanylmethyl]-6-methylpyrido[1,2-a]pyrimidin-4-one
CID 4195030
3-(2-chlorophenyl)-2-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)quinazolin-4-one
CID 23562728
5,6-dichloro-3H-benzo[e]indazole
CID 54145395
5,6-dichloro-1H-indazol-4-ol
CID 163323751
4-chloro-1H-indazole-6-carboxylic acid
CID 24728396
1-(2-chlorophenyl)pyrrole-2,5-diol
CID 54181433
4-(2-chlorophenyl)-3-[2-(2-hydroxyphenyl)ethyl]-1H-1,2,4-triazol-5-one
CID 50957051
4-(2-chlorophenyl)-1H-indazol-6-amine
CID 141163572
2-[(5-bromo-2-oxo-1H-indol-3-ylidene)methyl]-3-(2-chlorophenyl)quinazolin-4-one
CID 2921515
6,8-dichloro-3-(2-chlorophenyl)-2-sulfanylidene-1H-quinazolin-4-one
CID 11501326

Frequently Asked Questions

What is the IUPAC name of 5-(2-chlorophenyl)-6-(hydroxymethyl)-1H-pyrazolo[4,5-c]pyridin-4-one?
The IUPAC name of 5-(2-chlorophenyl)-6-(hydroxymethyl)-1H-pyrazolo[4,5-c]pyridin-4-one (CID 141377745) is 5-(2-chlorophenyl)-6-(hydroxymethyl)-1H-pyrazolo[4,5-c]pyridin-4-one.
What is the SMILES notation for 5-(2-chlorophenyl)-6-(hydroxymethyl)-1H-pyrazolo[4,5-c]pyridin-4-one?
The canonical SMILES for 5-(2-chlorophenyl)-6-(hydroxymethyl)-1H-pyrazolo[4,5-c]pyridin-4-one is O=c1c2cn[nH]c2cc(CO)n1-c1ccccc1Cl.
What is the InChIKey of 5-(2-chlorophenyl)-6-(hydroxymethyl)-1H-pyrazolo[4,5-c]pyridin-4-one?
The InChIKey is OYEVMMRFOFFCAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClN3O2/c14-10-3-1-2-4-12(10)17-8(7-18)5-11-9(13(17)19)6-15-16-11/h1-6,18H,7H2,(H,15,16).
What are the key properties of 5-(2-chlorophenyl)-6-(hydroxymethyl)-1H-pyrazolo[4,5-c]pyridin-4-one?
5-(2-chlorophenyl)-6-(hydroxymethyl)-1H-pyrazolo[4,5-c]pyridin-4-one has a molecular weight of 275.69 g/mol, XLogP of 1.86, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chlorophenyl)-6-(hydroxymethyl)-1H-pyrazolo[4,5-c]pyridin-4-one is sourced from PubChem (CID 141377745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).