6-chloro-4-(2-fluoro-4-iodoanilino)-N-(2-hydroxyethyl)pyridine-3-carboxamide

C14H12ClFIN3O2 — CID 87974934

IUPAC6-chloro-4-(2-fluoro-4-iodoanilino)-N-(2-hydroxyethyl)pyridine-3-carboxamide
SMILESO=C(NCCO)c1cnc(Cl)cc1Nc1ccc(I)cc1F
InChIInChI=1S/C14H12ClFIN3O2/c15-13-6-12(9(7-19-13)14(22)18-3-4-21)20-11-2-1-8(17)5-10(11)16/h1-2,5-7,21H,3-4H2,(H,18,22)(H,19,20)
InChIKeyOHNQCNVHSRVWHR-UHFFFAOYSA-N
MW435.62 g/mol
LogP2.94
Rot. Bonds5

About 6-chloro-4-(2-fluoro-4-iodoanilino)-N-(2-hydroxyethyl)pyridine-3-carboxamide

6-chloro-4-(2-fluoro-4-iodoanilino)-N-(2-hydroxyethyl)pyridine-3-carboxamide (PubChem CID 87974934) has the molecular formula C14H12ClFIN3O2 and a molecular weight of 435.62 g/mol. Its IUPAC name is 6-chloro-4-(2-fluoro-4-iodoanilino)-N-(2-hydroxyethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-chloro-4-(2-fluoro-4-iodoanilino)-N-(2-hydroxyethyl)pyridine-3-carboxamide
PubChem CID87974934
Molecular FormulaC14H12ClFIN3O2
Molecular Weight435.62 g/mol
Exact Mass434.96
IUPAC Name6-chloro-4-(2-fluoro-4-iodoanilino)-N-(2-hydroxyethyl)pyridine-3-carboxamide
SMILESO=C(NCCO)c1cnc(Cl)cc1Nc1ccc(I)cc1F
InChIInChI=1S/C14H12ClFIN3O2/c15-13-6-12(9(7-19-13)14(22)18-3-4-21)20-11-2-1-8(17)5-10(11)16/h1-2,5-7,21H,3-4H2,(H,18,22)(H,19,20)
InChIKeyOHNQCNVHSRVWHR-UHFFFAOYSA-N
XLogP2.94
TPSA74.25 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.62
LogP ≤ 52.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-(2-fluoro-4-iodoanilino)-N-(2-hydroxyethyl)pyridine-3-carboxamide?
The IUPAC name of 6-chloro-4-(2-fluoro-4-iodoanilino)-N-(2-hydroxyethyl)pyridine-3-carboxamide (CID 87974934) is 6-chloro-4-(2-fluoro-4-iodoanilino)-N-(2-hydroxyethyl)pyridine-3-carboxamide.
What is the SMILES notation for 6-chloro-4-(2-fluoro-4-iodoanilino)-N-(2-hydroxyethyl)pyridine-3-carboxamide?
The canonical SMILES for 6-chloro-4-(2-fluoro-4-iodoanilino)-N-(2-hydroxyethyl)pyridine-3-carboxamide is O=C(NCCO)c1cnc(Cl)cc1Nc1ccc(I)cc1F.
What is the InChIKey of 6-chloro-4-(2-fluoro-4-iodoanilino)-N-(2-hydroxyethyl)pyridine-3-carboxamide?
The InChIKey is OHNQCNVHSRVWHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClFIN3O2/c15-13-6-12(9(7-19-13)14(22)18-3-4-21)20-11-2-1-8(17)5-10(11)16/h1-2,5-7,21H,3-4H2,(H,18,22)(H,19,20).
What are the key properties of 6-chloro-4-(2-fluoro-4-iodoanilino)-N-(2-hydroxyethyl)pyridine-3-carboxamide?
6-chloro-4-(2-fluoro-4-iodoanilino)-N-(2-hydroxyethyl)pyridine-3-carboxamide has a molecular weight of 435.62 g/mol, XLogP of 2.94, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-(2-fluoro-4-iodoanilino)-N-(2-hydroxyethyl)pyridine-3-carboxamide is sourced from PubChem (CID 87974934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).