2,5-dichloro-N-(2,3-dihydro-1-benzofuran-5-yl)pyridine-4-carboxamide

C14H10Cl2N2O2 — CID 114917851

IUPAC2,5-dichloro-N-(2,3-dihydro-1-benzofuran-5-yl)pyridine-4-carboxamide
SMILESO=C(Nc1ccc2c(c1)CCO2)c1cc(Cl)ncc1Cl
InChIInChI=1S/C14H10Cl2N2O2/c15-11-7-17-13(16)6-10(11)14(19)18-9-1-2-12-8(5-9)3-4-20-12/h1-2,5-7H,3-4H2,(H,18,19)
InChIKeyKEKHBNDDKOHYBE-UHFFFAOYSA-N
MW309.15 g/mol
LogP3.58
Rot. Bonds2

About 2,5-dichloro-N-(2,3-dihydro-1-benzofuran-5-yl)pyridine-4-carboxamide

2,5-dichloro-N-(2,3-dihydro-1-benzofuran-5-yl)pyridine-4-carboxamide (PubChem CID 114917851) has the molecular formula C14H10Cl2N2O2 and a molecular weight of 309.15 g/mol. Its IUPAC name is 2,5-dichloro-N-(2,3-dihydro-1-benzofuran-5-yl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2,5-dichloro-N-(2,3-dihydro-1-benzofuran-5-yl)pyridine-4-carboxamide
PubChem CID114917851
Molecular FormulaC14H10Cl2N2O2
Molecular Weight309.15 g/mol
Exact Mass308.01
IUPAC Name2,5-dichloro-N-(2,3-dihydro-1-benzofuran-5-yl)pyridine-4-carboxamide
SMILESO=C(Nc1ccc2c(c1)CCO2)c1cc(Cl)ncc1Cl
InChIInChI=1S/C14H10Cl2N2O2/c15-11-7-17-13(16)6-10(11)14(19)18-9-1-2-12-8(5-9)3-4-20-12/h1-2,5-7H,3-4H2,(H,18,19)
InChIKeyKEKHBNDDKOHYBE-UHFFFAOYSA-N
XLogP3.58
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.15
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,3-dichloro-N-(2,3-dihydro-1-benzofuran-5-yl)benzamide
CID 38558640
N-[4-(carbamoylamino)phenyl]-2,5-dichloropyridine-4-carboxamide
CID 114917802
2-chloro-5-[(2,5-dichloropyridine-4-carbonyl)amino]benzoic acid
CID 114917869
N-[3-(carbamoylamino)phenyl]-2,5-dichloropyridine-4-carboxamide
CID 114917801
5-bromo-N-(2,3-dihydro-1-benzofuran-5-yl)-2-hydroxybenzamide
CID 38558716
N-(2,3-dihydro-1-benzofuran-5-yl)naphthalene-1-carboxamide
CID 38558744
3,6-dichloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyridazine-4-carboxamide
CID 103609811
2-chloro-N-(2,3-dihydro-1-benzofuran-5-yl)acetamide
CID 43701447
N-(2,3-dihydro-1-benzofuran-5-yl)-6-fluoropyridine-2-carboxamide
CID 115497334
6-bromo-N-(2,3-dihydro-1-benzofuran-5-yl)pyridine-2-carboxamide
CID 113346686
2,5-dichloro-N-[4-(methylcarbamoyl)phenyl]pyridine-4-carboxamide
CID 114917530
N-(2,3-dihydro-1-benzofuran-5-yl)-2-methylcyclopropane-1-carboxamide
CID 42951853

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-(2,3-dihydro-1-benzofuran-5-yl)pyridine-4-carboxamide?
The IUPAC name of 2,5-dichloro-N-(2,3-dihydro-1-benzofuran-5-yl)pyridine-4-carboxamide (CID 114917851) is 2,5-dichloro-N-(2,3-dihydro-1-benzofuran-5-yl)pyridine-4-carboxamide.
What is the SMILES notation for 2,5-dichloro-N-(2,3-dihydro-1-benzofuran-5-yl)pyridine-4-carboxamide?
The canonical SMILES for 2,5-dichloro-N-(2,3-dihydro-1-benzofuran-5-yl)pyridine-4-carboxamide is O=C(Nc1ccc2c(c1)CCO2)c1cc(Cl)ncc1Cl.
What is the InChIKey of 2,5-dichloro-N-(2,3-dihydro-1-benzofuran-5-yl)pyridine-4-carboxamide?
The InChIKey is KEKHBNDDKOHYBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Cl2N2O2/c15-11-7-17-13(16)6-10(11)14(19)18-9-1-2-12-8(5-9)3-4-20-12/h1-2,5-7H,3-4H2,(H,18,19).
What are the key properties of 2,5-dichloro-N-(2,3-dihydro-1-benzofuran-5-yl)pyridine-4-carboxamide?
2,5-dichloro-N-(2,3-dihydro-1-benzofuran-5-yl)pyridine-4-carboxamide has a molecular weight of 309.15 g/mol, XLogP of 3.58, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-(2,3-dihydro-1-benzofuran-5-yl)pyridine-4-carboxamide is sourced from PubChem (CID 114917851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).