5-(difluoromethyl)-4-iodo-2-methoxypyridine-3-carboxylic acid

C8H6F2INO3 — CID 130085798

IUPAC5-(difluoromethyl)-4-iodo-2-methoxypyridine-3-carboxylic acid
SMILESCOc1ncc(C(F)F)c(I)c1C(=O)O
InChIInChI=1S/C8H6F2INO3/c1-15-7-4(8(13)14)5(11)3(2-12-7)6(9)10/h2,6H,1H3,(H,13,14)
InChIKeyJVXGGZMBZOZDBC-UHFFFAOYSA-N
MW329.04 g/mol
LogP2.33
Rot. Bonds3

About 5-(difluoromethyl)-4-iodo-2-methoxypyridine-3-carboxylic acid

5-(difluoromethyl)-4-iodo-2-methoxypyridine-3-carboxylic acid (PubChem CID 130085798) has the molecular formula C8H6F2INO3 and a molecular weight of 329.04 g/mol. Its IUPAC name is 5-(difluoromethyl)-4-iodo-2-methoxypyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-(difluoromethyl)-4-iodo-2-methoxypyridine-3-carboxylic acid
PubChem CID130085798
Molecular FormulaC8H6F2INO3
Molecular Weight329.04 g/mol
Exact Mass328.94
IUPAC Name5-(difluoromethyl)-4-iodo-2-methoxypyridine-3-carboxylic acid
SMILESCOc1ncc(C(F)F)c(I)c1C(=O)O
InChIInChI=1S/C8H6F2INO3/c1-15-7-4(8(13)14)5(11)3(2-12-7)6(9)10/h2,6H,1H3,(H,13,14)
InChIKeyJVXGGZMBZOZDBC-UHFFFAOYSA-N
XLogP2.33
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.04
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

4-(difluoromethyl)-6-iodo-2-methoxypyridine-3-carboxylic acid
CID 118812854
methyl 2-[5-(difluoromethyl)-4-iodo-2-methoxy-3-pyridinyl]acetate
CID 133102118
4-(difluoromethyl)-5-iodo-6-methoxypyridine-2-carboxylic acid
CID 118818405
4-bromo-5-(difluoromethyl)-2-methoxypyridine-3-carboxamide
CID 118816904
ethyl 2-[5-(difluoromethyl)-4-iodo-2-methoxy-3-pyridinyl]acetate
CID 133102071
5-(difluoromethyl)-3-iodo-2-methoxypyridin-4-amine
CID 118806527
2-[4-(difluoromethyl)-5-iodo-6-methoxy-3-pyridinyl]acetic acid
CID 118839763
methyl 5-(difluoromethyl)-3-hydroxy-2-methoxypyridine-4-carboxylate
CID 133103370
4-(difluoromethyl)-6-fluoro-2-methoxypyridine-3-carboxylic acid
CID 118806000
2-[4-(aminomethyl)-5-(difluoromethyl)-2-methoxy-3-pyridinyl]acetic acid
CID 133085256
2-(aminomethyl)-5-(difluoromethyl)-3-methoxypyridine-4-carboxylic acid
CID 133085035
ethyl 4-chloro-5-(difluoromethyl)-2-methoxypyridine-3-carboxylate
CID 134674054

Frequently Asked Questions

What is the IUPAC name of 5-(difluoromethyl)-4-iodo-2-methoxypyridine-3-carboxylic acid?
The IUPAC name of 5-(difluoromethyl)-4-iodo-2-methoxypyridine-3-carboxylic acid (CID 130085798) is 5-(difluoromethyl)-4-iodo-2-methoxypyridine-3-carboxylic acid.
What is the SMILES notation for 5-(difluoromethyl)-4-iodo-2-methoxypyridine-3-carboxylic acid?
The canonical SMILES for 5-(difluoromethyl)-4-iodo-2-methoxypyridine-3-carboxylic acid is COc1ncc(C(F)F)c(I)c1C(=O)O.
What is the InChIKey of 5-(difluoromethyl)-4-iodo-2-methoxypyridine-3-carboxylic acid?
The InChIKey is JVXGGZMBZOZDBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F2INO3/c1-15-7-4(8(13)14)5(11)3(2-12-7)6(9)10/h2,6H,1H3,(H,13,14).
What are the key properties of 5-(difluoromethyl)-4-iodo-2-methoxypyridine-3-carboxylic acid?
5-(difluoromethyl)-4-iodo-2-methoxypyridine-3-carboxylic acid has a molecular weight of 329.04 g/mol, XLogP of 2.33, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(difluoromethyl)-4-iodo-2-methoxypyridine-3-carboxylic acid is sourced from PubChem (CID 130085798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).