ethane;6-fluoro-5-methyl-1H-pyrazolo[4,3-b]pyridine

C9H12FN3 — CID 178139452

IUPACethane;6-fluoro-5-methyl-1H-pyrazolo[4,3-b]pyridine
SMILESCC.Cc1nc2cn[nH]c2cc1F
InChIInChI=1S/C7H6FN3.C2H6/c1-4-5(8)2-6-7(10-4)3-9-11-6;1-2/h2-3H,1H3,(H,9,11);1-2H3
InChIKeyDDNVIBFKYQWSIV-UHFFFAOYSA-N
MW181.21 g/mol
LogP2.43
Rot. Bonds

About ethane;6-fluoro-5-methyl-1H-pyrazolo[4,3-b]pyridine

ethane;6-fluoro-5-methyl-1H-pyrazolo[4,3-b]pyridine (PubChem CID 178139452) has the molecular formula C9H12FN3 and a molecular weight of 181.21 g/mol. Its IUPAC name is ethane;6-fluoro-5-methyl-1H-pyrazolo[4,3-b]pyridine.

Molecular Properties

Compound Nameethane;6-fluoro-5-methyl-1H-pyrazolo[4,3-b]pyridine
PubChem CID178139452
Molecular FormulaC9H12FN3
Molecular Weight181.21 g/mol
Exact Mass181.10
IUPAC Nameethane;6-fluoro-5-methyl-1H-pyrazolo[4,3-b]pyridine
SMILESCC.Cc1nc2cn[nH]c2cc1F
InChIInChI=1S/C7H6FN3.C2H6/c1-4-5(8)2-6-7(10-4)3-9-11-6;1-2/h2-3H,1H3,(H,9,11);1-2H3
InChIKeyDDNVIBFKYQWSIV-UHFFFAOYSA-N
XLogP2.43
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.21
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-fluoro-5-methyl-1H-pyrazolo[4,3-b]pyridine
CID 178139453
5-fluoro-6-methyl-1H-pyrazolo[3,4-b]pyridine
CID 123691976
6-fluoro-5-iodo-1H-indazole
CID 70970480
4-bromo-6-fluoro-5-methyl-1H-indazole
CID 139508183
4-fluoro-6-methyl-1H-indazole
CID 24728805
5-chloro-1H-pyrazolo[4,3-d]pyrimidine;ethane
CID 164538697
5-bromo-6-fluoro-1H-indazole
CID 46863923
5-chloro-6-methoxy-1H-pyrazolo[4,3-b]pyridine
CID 154728777
3-fluoro-2,5,6-trimethylpyridine
CID 69005748
ethane;5-methyl-1H-indazole
CID 178026047
6-fluoro-5-isocyano-1H-indazole
CID 59148125
(6-fluoro-1H-indazol-5-yl)methanol
CID 76846377

Frequently Asked Questions

What is the IUPAC name of ethane;6-fluoro-5-methyl-1H-pyrazolo[4,3-b]pyridine?
The IUPAC name of ethane;6-fluoro-5-methyl-1H-pyrazolo[4,3-b]pyridine (CID 178139452) is ethane;6-fluoro-5-methyl-1H-pyrazolo[4,3-b]pyridine.
What is the SMILES notation for ethane;6-fluoro-5-methyl-1H-pyrazolo[4,3-b]pyridine?
The canonical SMILES for ethane;6-fluoro-5-methyl-1H-pyrazolo[4,3-b]pyridine is CC.Cc1nc2cn[nH]c2cc1F.
What is the InChIKey of ethane;6-fluoro-5-methyl-1H-pyrazolo[4,3-b]pyridine?
The InChIKey is DDNVIBFKYQWSIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6FN3.C2H6/c1-4-5(8)2-6-7(10-4)3-9-11-6;1-2/h2-3H,1H3,(H,9,11);1-2H3.
What are the key properties of ethane;6-fluoro-5-methyl-1H-pyrazolo[4,3-b]pyridine?
ethane;6-fluoro-5-methyl-1H-pyrazolo[4,3-b]pyridine has a molecular weight of 181.21 g/mol, XLogP of 2.43, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;6-fluoro-5-methyl-1H-pyrazolo[4,3-b]pyridine is sourced from PubChem (CID 178139452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).