(5-chloro-1-methylpyrazolo[3,4-c]pyridin-7-yl)methanol

C8H8ClN3O — CID 121415267

IUPAC(5-chloro-1-methylpyrazolo[3,4-c]pyridin-7-yl)methanol
SMILESCn1ncc2cc(Cl)nc(CO)c21
InChIInChI=1S/C8H8ClN3O/c1-12-8-5(3-10-12)2-7(9)11-6(8)4-13/h2-3,13H,4H2,1H3
InChIKeySQIFMLNXJDXTEY-UHFFFAOYSA-N
MW197.62 g/mol
LogP1.11
Rot. Bonds1

About (5-chloro-1-methylpyrazolo[3,4-c]pyridin-7-yl)methanol

(5-chloro-1-methylpyrazolo[3,4-c]pyridin-7-yl)methanol (PubChem CID 121415267) has the molecular formula C8H8ClN3O and a molecular weight of 197.62 g/mol. Its IUPAC name is (5-chloro-1-methylpyrazolo[3,4-c]pyridin-7-yl)methanol.

Molecular Properties

Compound Name(5-chloro-1-methylpyrazolo[3,4-c]pyridin-7-yl)methanol
PubChem CID121415267
Molecular FormulaC8H8ClN3O
Molecular Weight197.62 g/mol
Exact Mass197.04
IUPAC Name(5-chloro-1-methylpyrazolo[3,4-c]pyridin-7-yl)methanol
SMILESCn1ncc2cc(Cl)nc(CO)c21
InChIInChI=1S/C8H8ClN3O/c1-12-8-5(3-10-12)2-7(9)11-6(8)4-13/h2-3,13H,4H2,1H3
InChIKeySQIFMLNXJDXTEY-UHFFFAOYSA-N
XLogP1.11
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.62
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (5-chloro-1-methylpyrazolo[3,4-c]pyridin-7-yl)methanol?
The IUPAC name of (5-chloro-1-methylpyrazolo[3,4-c]pyridin-7-yl)methanol (CID 121415267) is (5-chloro-1-methylpyrazolo[3,4-c]pyridin-7-yl)methanol.
What is the SMILES notation for (5-chloro-1-methylpyrazolo[3,4-c]pyridin-7-yl)methanol?
The canonical SMILES for (5-chloro-1-methylpyrazolo[3,4-c]pyridin-7-yl)methanol is Cn1ncc2cc(Cl)nc(CO)c21.
What is the InChIKey of (5-chloro-1-methylpyrazolo[3,4-c]pyridin-7-yl)methanol?
The InChIKey is SQIFMLNXJDXTEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClN3O/c1-12-8-5(3-10-12)2-7(9)11-6(8)4-13/h2-3,13H,4H2,1H3.
What are the key properties of (5-chloro-1-methylpyrazolo[3,4-c]pyridin-7-yl)methanol?
(5-chloro-1-methylpyrazolo[3,4-c]pyridin-7-yl)methanol has a molecular weight of 197.62 g/mol, XLogP of 1.11, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-1-methylpyrazolo[3,4-c]pyridin-7-yl)methanol is sourced from PubChem (CID 121415267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).