3-fluoro-6-(1H-indazol-4-yl)-5-methylpyridine-2-carbonitrile

C14H9FN4 — CID 166395342

IUPAC3-fluoro-6-(1H-indazol-4-yl)-5-methylpyridine-2-carbonitrile
SMILESCc1cc(F)c(C#N)nc1-c1cccc2[nH]ncc12
InChIInChI=1S/C14H9FN4/c1-8-5-11(15)13(6-16)18-14(8)9-3-2-4-12-10(9)7-17-19-12/h2-5,7H,1H3,(H,17,19)
InChIKeyISFOTFUJLKHZGZ-UHFFFAOYSA-N
MW252.25 g/mol
LogP2.94
Rot. Bonds1

About 3-fluoro-6-(1H-indazol-4-yl)-5-methylpyridine-2-carbonitrile

3-fluoro-6-(1H-indazol-4-yl)-5-methylpyridine-2-carbonitrile (PubChem CID 166395342) has the molecular formula C14H9FN4 and a molecular weight of 252.25 g/mol. Its IUPAC name is 3-fluoro-6-(1H-indazol-4-yl)-5-methylpyridine-2-carbonitrile.

Molecular Properties

Compound Name3-fluoro-6-(1H-indazol-4-yl)-5-methylpyridine-2-carbonitrile
PubChem CID166395342
Molecular FormulaC14H9FN4
Molecular Weight252.25 g/mol
Exact Mass252.08
IUPAC Name3-fluoro-6-(1H-indazol-4-yl)-5-methylpyridine-2-carbonitrile
SMILESCc1cc(F)c(C#N)nc1-c1cccc2[nH]ncc12
InChIInChI=1S/C14H9FN4/c1-8-5-11(15)13(6-16)18-14(8)9-3-2-4-12-10(9)7-17-19-12/h2-5,7H,1H3,(H,17,19)
InChIKeyISFOTFUJLKHZGZ-UHFFFAOYSA-N
XLogP2.94
TPSA65.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.25
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-fluoro-6-(1H-indol-7-yl)-5-methylpyridine-2-carbonitrile
CID 166395343
4-(5-methyl-1H-1,2,4-triazol-3-yl)-1H-indazole
CID 167756321
4-(3-fluoro-2-methoxyphenyl)-1H-indazole
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3-(1H-indazol-4-yl)phenol
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5-(1H-indazol-4-yl)-3-methyl-1,2,4-oxadiazole
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4-fluoro-1H-indazole-6-carbonitrile
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5-[3-(1H-indazol-4-yl)-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxybenzonitrile
CID 53247368
CID 174665708
CID 174665708
2-(1H-indazol-4-yl)quinazoline
CID 91393961
methyl 4-amino-3-chloro-5-fluoro-6-(1H-indazol-4-yl)pyridine-2-carboxylate
CID 90451077
3-(1H-indazol-4-yl)cinnoline
CID 123409262
4-(1H-indazol-4-yl)-2-[1-(methoxymethyl)cyclopentyl]-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carbonitrile
CID 90043239

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-6-(1H-indazol-4-yl)-5-methylpyridine-2-carbonitrile?
The IUPAC name of 3-fluoro-6-(1H-indazol-4-yl)-5-methylpyridine-2-carbonitrile (CID 166395342) is 3-fluoro-6-(1H-indazol-4-yl)-5-methylpyridine-2-carbonitrile.
What is the SMILES notation for 3-fluoro-6-(1H-indazol-4-yl)-5-methylpyridine-2-carbonitrile?
The canonical SMILES for 3-fluoro-6-(1H-indazol-4-yl)-5-methylpyridine-2-carbonitrile is Cc1cc(F)c(C#N)nc1-c1cccc2[nH]ncc12.
What is the InChIKey of 3-fluoro-6-(1H-indazol-4-yl)-5-methylpyridine-2-carbonitrile?
The InChIKey is ISFOTFUJLKHZGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9FN4/c1-8-5-11(15)13(6-16)18-14(8)9-3-2-4-12-10(9)7-17-19-12/h2-5,7H,1H3,(H,17,19).
What are the key properties of 3-fluoro-6-(1H-indazol-4-yl)-5-methylpyridine-2-carbonitrile?
3-fluoro-6-(1H-indazol-4-yl)-5-methylpyridine-2-carbonitrile has a molecular weight of 252.25 g/mol, XLogP of 2.94, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-6-(1H-indazol-4-yl)-5-methylpyridine-2-carbonitrile is sourced from PubChem (CID 166395342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).