6-fluoro-7-methylindolizine-1-carbonitrile

C10H7FN2 — CID 58056686

IUPAC6-fluoro-7-methylindolizine-1-carbonitrile
SMILESCc1cc2c(C#N)ccn2cc1F
InChIInChI=1S/C10H7FN2/c1-7-4-10-8(5-12)2-3-13(10)6-9(7)11/h2-4,6H,1H3
InChIKeyUQXDWDPKTXPCPQ-UHFFFAOYSA-N
MW174.18 g/mol
LogP2.26
Rot. Bonds

About 6-fluoro-7-methylindolizine-1-carbonitrile

6-fluoro-7-methylindolizine-1-carbonitrile (PubChem CID 58056686) has the molecular formula C10H7FN2 and a molecular weight of 174.18 g/mol. Its IUPAC name is 6-fluoro-7-methylindolizine-1-carbonitrile.

Molecular Properties

Compound Name6-fluoro-7-methylindolizine-1-carbonitrile
PubChem CID58056686
Molecular FormulaC10H7FN2
Molecular Weight174.18 g/mol
Exact Mass174.06
IUPAC Name6-fluoro-7-methylindolizine-1-carbonitrile
SMILESCc1cc2c(C#N)ccn2cc1F
InChIInChI=1S/C10H7FN2/c1-7-4-10-8(5-12)2-3-13(10)6-9(7)11/h2-4,6H,1H3
InChIKeyUQXDWDPKTXPCPQ-UHFFFAOYSA-N
XLogP2.26
TPSA28.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.18
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

6-chloroindolizine-1-carbonitrile
CID 51356371
7-methoxyindolizine-1-carbonitrile
CID 58056703
4-fluoro-5-methylbenzene-1,2-dicarbonitrile
CID 146962290
4-(1-cyano-6-fluoro-7-methylindolizin-3-yl)benzoic acid
CID 58056706
5-fluoro-6-methyl-1-(6-methyl-2-pyridinyl)indole-3-carbonitrile
CID 141298773
5-fluoro-6-methyl-1-(5-methyl-2-pyridinyl)indole-3-carbonitrile
CID 141298756
4-fluoro-5-methyl-2-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]benzonitrile
CID 121385794
5-(2,5-dimethylpyrrol-1-yl)-2-fluorobenzonitrile
CID 62316510
2-fluoro-5-[(4-fluoro-3-methylphenyl)methylamino]benzonitrile
CID 55057726
4-fluoro-3-methylbenzonitrile
CID 2779180
4-chloro-5-fluoro-2-methylbenzonitrile;ethene
CID 164517256
4-bromo-2-fluoro-5-methylbenzonitrile
CID 34175419

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-7-methylindolizine-1-carbonitrile?
The IUPAC name of 6-fluoro-7-methylindolizine-1-carbonitrile (CID 58056686) is 6-fluoro-7-methylindolizine-1-carbonitrile.
What is the SMILES notation for 6-fluoro-7-methylindolizine-1-carbonitrile?
The canonical SMILES for 6-fluoro-7-methylindolizine-1-carbonitrile is Cc1cc2c(C#N)ccn2cc1F.
What is the InChIKey of 6-fluoro-7-methylindolizine-1-carbonitrile?
The InChIKey is UQXDWDPKTXPCPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7FN2/c1-7-4-10-8(5-12)2-3-13(10)6-9(7)11/h2-4,6H,1H3.
What are the key properties of 6-fluoro-7-methylindolizine-1-carbonitrile?
6-fluoro-7-methylindolizine-1-carbonitrile has a molecular weight of 174.18 g/mol, XLogP of 2.26, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-7-methylindolizine-1-carbonitrile is sourced from PubChem (CID 58056686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).