2-[(3-fluoro-2-iodoanilino)methyl]pyridine-3-carboxylic acid

C13H10FIN2O2 — CID 114260572

IUPAC2-[(3-fluoro-2-iodoanilino)methyl]pyridine-3-carboxylic acid
SMILESO=C(O)c1cccnc1CNc1cccc(F)c1I
InChIInChI=1S/C13H10FIN2O2/c14-9-4-1-5-10(12(9)15)17-7-11-8(13(18)19)3-2-6-16-11/h1-6,17H,7H2,(H,18,19)
InChIKeyVPOIFBKICUDRAG-UHFFFAOYSA-N
MW372.14 g/mol
LogP3.14
Rot. Bonds4

About 2-[(3-fluoro-2-iodoanilino)methyl]pyridine-3-carboxylic acid

2-[(3-fluoro-2-iodoanilino)methyl]pyridine-3-carboxylic acid (PubChem CID 114260572) has the molecular formula C13H10FIN2O2 and a molecular weight of 372.14 g/mol. Its IUPAC name is 2-[(3-fluoro-2-iodoanilino)methyl]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-[(3-fluoro-2-iodoanilino)methyl]pyridine-3-carboxylic acid
PubChem CID114260572
Molecular FormulaC13H10FIN2O2
Molecular Weight372.14 g/mol
Exact Mass371.98
IUPAC Name2-[(3-fluoro-2-iodoanilino)methyl]pyridine-3-carboxylic acid
SMILESO=C(O)c1cccnc1CNc1cccc(F)c1I
InChIInChI=1S/C13H10FIN2O2/c14-9-4-1-5-10(12(9)15)17-7-11-8(13(18)19)3-2-6-16-11/h1-6,17H,7H2,(H,18,19)
InChIKeyVPOIFBKICUDRAG-UHFFFAOYSA-N
XLogP3.14
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.14
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[(3-ethyl-2-pyridinyl)methylamino]-6-fluorobenzoic acid
CID 82754906
2-[(3-fluoro-5-methylanilino)methyl]pyridine-3-carboxylic acid
CID 114198744
2-[(2-bromo-5-chloroanilino)methyl]pyridine-3-carboxylic acid
CID 114198763
2-[(4-chloro-3-fluoroanilino)methyl]pyridine-3-carboxylic acid
CID 114198674
N-(3-fluoro-2-iodophenyl)-2-methoxypyridine-3-carboxamide
CID 113340929
2-[[(3-ethyl-1-methylpyrazol-4-yl)amino]methyl]pyridine-3-carboxylic acid
CID 114198834
2-[(2,3-difluorophenyl)carbamoyl]pyridine-3-carboxylic acid
CID 63615588
N-[(3-fluoro-2-pyridinyl)methyl]pyrimidin-2-amine
CID 75431488
2-[(3-fluoro-2-iodoanilino)methyl]prop-2-enoic acid
CID 130499303
2-(chloromethyl)pyridine-3-carboxylic acid
CID 19829123
2-[(3-ethyl-2-pyridinyl)methylamino]-3-methylbenzoic acid
CID 107112351
2-[(2,2,3,3-tetrafluoropropylamino)methyl]pyridine-3-carboxylic acid
CID 114198906

Frequently Asked Questions

What is the IUPAC name of 2-[(3-fluoro-2-iodoanilino)methyl]pyridine-3-carboxylic acid?
The IUPAC name of 2-[(3-fluoro-2-iodoanilino)methyl]pyridine-3-carboxylic acid (CID 114260572) is 2-[(3-fluoro-2-iodoanilino)methyl]pyridine-3-carboxylic acid.
What is the SMILES notation for 2-[(3-fluoro-2-iodoanilino)methyl]pyridine-3-carboxylic acid?
The canonical SMILES for 2-[(3-fluoro-2-iodoanilino)methyl]pyridine-3-carboxylic acid is O=C(O)c1cccnc1CNc1cccc(F)c1I.
What is the InChIKey of 2-[(3-fluoro-2-iodoanilino)methyl]pyridine-3-carboxylic acid?
The InChIKey is VPOIFBKICUDRAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10FIN2O2/c14-9-4-1-5-10(12(9)15)17-7-11-8(13(18)19)3-2-6-16-11/h1-6,17H,7H2,(H,18,19).
What are the key properties of 2-[(3-fluoro-2-iodoanilino)methyl]pyridine-3-carboxylic acid?
2-[(3-fluoro-2-iodoanilino)methyl]pyridine-3-carboxylic acid has a molecular weight of 372.14 g/mol, XLogP of 3.14, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-fluoro-2-iodoanilino)methyl]pyridine-3-carboxylic acid is sourced from PubChem (CID 114260572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).