6-(fluoromethyl)pyridine-2-carboxylic acid;iridium

C7H6FIrNO2 — CID 58621414

IUPAC6-(fluoromethyl)pyridine-2-carboxylic acid;iridium
SMILESO=C(O)c1cccc(CF)n1.[Ir]
InChIInChI=1S/C7H6FNO2.Ir/c8-4-5-2-1-3-6(9-5)7(10)11;/h1-3H,4H2,(H,10,11);
InChIKeyJTXNBGJEJZHGON-UHFFFAOYSA-N
MW347.35 g/mol
LogP1.25
Rot. Bonds2

About 6-(fluoromethyl)pyridine-2-carboxylic acid;iridium

6-(fluoromethyl)pyridine-2-carboxylic acid;iridium (PubChem CID 58621414) has the molecular formula C7H6FIrNO2 and a molecular weight of 347.35 g/mol. Its IUPAC name is 6-(fluoromethyl)pyridine-2-carboxylic acid;iridium.

Molecular Properties

Compound Name6-(fluoromethyl)pyridine-2-carboxylic acid;iridium
PubChem CID58621414
Molecular FormulaC7H6FIrNO2
Molecular Weight347.35 g/mol
Exact Mass348.00
IUPAC Name6-(fluoromethyl)pyridine-2-carboxylic acid;iridium
SMILESO=C(O)c1cccc(CF)n1.[Ir]
InChIInChI=1S/C7H6FNO2.Ir/c8-4-5-2-1-3-6(9-5)7(10)11;/h1-3H,4H2,(H,10,11);
InChIKeyJTXNBGJEJZHGON-UHFFFAOYSA-N
XLogP1.25
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.35
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-(hydroxymethyl)pyridine-2-carboxylic acid;hydrochloride
CID 146675255
2-[6-(fluoromethyl)-2-pyridinyl]acetic acid
CID 84765522
6-(trifluoromethoxymethyl)pyridine-2-carboxylic acid
CID 107876690
CID 91986542
CID 91986542
6-(2-hydroxypropyl)pyridine-2-carboxylic acid
CID 122637031
ethane;6-(methylaminomethyl)pyridine-2-carboxylic acid
CID 166148097
6-[[2-(dimethylamino)ethyl-methylamino]methyl]pyridine-2-carboxylic acid
CID 106904183
6-(benzylsulfonylmethyl)pyridine-2-carboxylic acid
CID 106903821
6-(2,2,2-trifluoroethoxymethyl)pyridine-2-carboxylic acid
CID 106903249
6-(phenoxymethyl)pyridine-2-carboxylic acid
CID 54566453
6-[[(3-fluorophenyl)methylamino]methyl]pyridine-2-carboxylic acid
CID 106904432
6-(azepan-1-ylmethyl)pyridine-2-carboxylic acid
CID 106903922

Frequently Asked Questions

What is the IUPAC name of 6-(fluoromethyl)pyridine-2-carboxylic acid;iridium?
The IUPAC name of 6-(fluoromethyl)pyridine-2-carboxylic acid;iridium (CID 58621414) is 6-(fluoromethyl)pyridine-2-carboxylic acid;iridium.
What is the SMILES notation for 6-(fluoromethyl)pyridine-2-carboxylic acid;iridium?
The canonical SMILES for 6-(fluoromethyl)pyridine-2-carboxylic acid;iridium is O=C(O)c1cccc(CF)n1.[Ir].
What is the InChIKey of 6-(fluoromethyl)pyridine-2-carboxylic acid;iridium?
The InChIKey is JTXNBGJEJZHGON-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6FNO2.Ir/c8-4-5-2-1-3-6(9-5)7(10)11;/h1-3H,4H2,(H,10,11);.
What are the key properties of 6-(fluoromethyl)pyridine-2-carboxylic acid;iridium?
6-(fluoromethyl)pyridine-2-carboxylic acid;iridium has a molecular weight of 347.35 g/mol, XLogP of 1.25, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(fluoromethyl)pyridine-2-carboxylic acid;iridium is sourced from PubChem (CID 58621414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).