5-chloro-1-methylpyrazolo[3,4-c]pyridine-3-carbonitrile

C8H5ClN4 — CID 170700378

IUPAC5-chloro-1-methylpyrazolo[3,4-c]pyridine-3-carbonitrile
SMILESCn1nc(C#N)c2cc(Cl)ncc21
InChIInChI=1S/C8H5ClN4/c1-13-7-4-11-8(9)2-5(7)6(3-10)12-13/h2,4H,1H3
InChIKeyIAQZEGXDAFAEGU-UHFFFAOYSA-N
MW192.61 g/mol
LogP1.49
Rot. Bonds

About 5-chloro-1-methylpyrazolo[3,4-c]pyridine-3-carbonitrile

5-chloro-1-methylpyrazolo[3,4-c]pyridine-3-carbonitrile (PubChem CID 170700378) has the molecular formula C8H5ClN4 and a molecular weight of 192.61 g/mol. Its IUPAC name is 5-chloro-1-methylpyrazolo[3,4-c]pyridine-3-carbonitrile.

Molecular Properties

Compound Name5-chloro-1-methylpyrazolo[3,4-c]pyridine-3-carbonitrile
PubChem CID170700378
Molecular FormulaC8H5ClN4
Molecular Weight192.61 g/mol
Exact Mass192.02
IUPAC Name5-chloro-1-methylpyrazolo[3,4-c]pyridine-3-carbonitrile
SMILESCn1nc(C#N)c2cc(Cl)ncc21
InChIInChI=1S/C8H5ClN4/c1-13-7-4-11-8(9)2-5(7)6(3-10)12-13/h2,4H,1H3
InChIKeyIAQZEGXDAFAEGU-UHFFFAOYSA-N
XLogP1.49
TPSA54.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.61
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-Chloro-1-methyl-1H-1,2,3-triazolo[4,5-c]pyridine
CID 319585
5-chloro-1H-pyrazolo(3,4-c)pyridine
CID 640857
5-Chloro-3-iodo-1h-pyrazolo(3,4-c)pyridine
CID 72213586
7-Chloro-1H-pyrazolo[3,4-c]pyridine
CID 12668491
3-(6-Chloropyridazin-3-yl)-2-isopropylpyrazolo[1,5-a]pyridine
CID 24751991
5-[1-(4-Chlorophenyl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-1-methyl-1H-pyrazole
CID 90421513
4-[1-(4-Chlorophenyl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-1-methyl-1H-pyrazole
CID 90421911
4-Chloro-2-phenylpyrazolo(1,5-a)pyrazine
CID 46507305
1-(5-Chloro-pyrazolo(3,4-c)pyridin-1-yl)-ethanone
CID 12668483
4-Chloro-2-methylpyrazolo(1,5-a)pyrazine
CID 55264761
6-Chloro-3-methyl-1H-pyrazolo[4,3-c]pyridine
CID 70701163
7-chloro-3-iodo-1H-pyrazolo(3,4-c)pyridine
CID 72206901

Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-methylpyrazolo[3,4-c]pyridine-3-carbonitrile?
The IUPAC name of 5-chloro-1-methylpyrazolo[3,4-c]pyridine-3-carbonitrile (CID 170700378) is 5-chloro-1-methylpyrazolo[3,4-c]pyridine-3-carbonitrile.
What is the SMILES notation for 5-chloro-1-methylpyrazolo[3,4-c]pyridine-3-carbonitrile?
The canonical SMILES for 5-chloro-1-methylpyrazolo[3,4-c]pyridine-3-carbonitrile is Cn1nc(C#N)c2cc(Cl)ncc21.
What is the InChIKey of 5-chloro-1-methylpyrazolo[3,4-c]pyridine-3-carbonitrile?
The InChIKey is IAQZEGXDAFAEGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5ClN4/c1-13-7-4-11-8(9)2-5(7)6(3-10)12-13/h2,4H,1H3.
What are the key properties of 5-chloro-1-methylpyrazolo[3,4-c]pyridine-3-carbonitrile?
5-chloro-1-methylpyrazolo[3,4-c]pyridine-3-carbonitrile has a molecular weight of 192.61 g/mol, XLogP of 1.49, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-methylpyrazolo[3,4-c]pyridine-3-carbonitrile is sourced from PubChem (CID 170700378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).