[(6-chloro-3-pyridinyl)-(2,3-dihydro-1-benzofuran-5-yl)methyl]hydrazine

C14H14ClN3O — CID 105253191

IUPAC[(6-chloro-3-pyridinyl)-(2,3-dihydro-1-benzofuran-5-yl)methyl]hydrazine
SMILESNNC(c1ccc(Cl)nc1)c1ccc2c(c1)CCO2
InChIInChI=1S/C14H14ClN3O/c15-13-4-2-11(8-17-13)14(18-16)10-1-3-12-9(7-10)5-6-19-12/h1-4,7-8,14,18H,5-6,16H2
InChIKeyAVLWWCPXRSOXLE-UHFFFAOYSA-N
MW275.74 g/mol
LogP2.22
Rot. Bonds3

About [(6-chloro-3-pyridinyl)-(2,3-dihydro-1-benzofuran-5-yl)methyl]hydrazine

[(6-chloro-3-pyridinyl)-(2,3-dihydro-1-benzofuran-5-yl)methyl]hydrazine (PubChem CID 105253191) has the molecular formula C14H14ClN3O and a molecular weight of 275.74 g/mol. Its IUPAC name is [(6-chloro-3-pyridinyl)-(2,3-dihydro-1-benzofuran-5-yl)methyl]hydrazine.

Molecular Properties

Compound Name[(6-chloro-3-pyridinyl)-(2,3-dihydro-1-benzofuran-5-yl)methyl]hydrazine
PubChem CID105253191
Molecular FormulaC14H14ClN3O
Molecular Weight275.74 g/mol
Exact Mass275.08
IUPAC Name[(6-chloro-3-pyridinyl)-(2,3-dihydro-1-benzofuran-5-yl)methyl]hydrazine
SMILESNNC(c1ccc(Cl)nc1)c1ccc2c(c1)CCO2
InChIInChI=1S/C14H14ClN3O/c15-13-4-2-11(8-17-13)14(18-16)10-1-3-12-9(7-10)5-6-19-12/h1-4,7-8,14,18H,5-6,16H2
InChIKeyAVLWWCPXRSOXLE-UHFFFAOYSA-N
XLogP2.22
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.74
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[(2-chlorofuran-3-yl)-(2,3-dihydro-1-benzofuran-5-yl)methyl]hydrazine
CID 106694707
[(2-chlorophenyl)-(2,3-dihydro-1-benzofuran-5-yl)methyl]hydrazine
CID 105211193
[2,3-dihydro-1-benzofuran-5-yl(1,3-thiazol-5-yl)methyl]hydrazine
CID 105253927
1-(2,3-dihydro-1-benzofuran-5-yl)-N-methyl-1-(6-methyl-3-pyridinyl)methanamine
CID 115854608
[(5-bromo-3-methyltriazol-4-yl)-(2,3-dihydro-1-benzofuran-5-yl)methyl]hydrazine
CID 106466707
[2,3-dihydro-1-benzofuran-5-yl-(2-iodophenyl)methyl]hydrazine
CID 105333859
[2,3-dihydro-1-benzofuran-5-yl-(2,4,5-trimethylfuran-3-yl)methyl]hydrazine
CID 105333839
[2,3-dihydro-1-benzofuran-5-yl-(2-methyl-1,3-thiazol-4-yl)methyl]hydrazine
CID 105333879
[2,3-dihydro-1-benzofuran-5-yl-(4-fluoro-3-methoxyphenyl)methyl]hydrazine
CID 105333854
[(4-bromo-1-methylpyrazol-5-yl)-(2,3-dihydro-1-benzofuran-5-yl)methyl]hydrazine
CID 105342182
[(2,4-dibromophenyl)-(2,3-dihydro-1-benzofuran-5-yl)methyl]hydrazine
CID 107948484
[2,3-dihydro-1-benzofuran-5-yl-(2,5-dimethylfuran-3-yl)methyl]hydrazine
CID 105333855

Frequently Asked Questions

What is the IUPAC name of [(6-chloro-3-pyridinyl)-(2,3-dihydro-1-benzofuran-5-yl)methyl]hydrazine?
The IUPAC name of [(6-chloro-3-pyridinyl)-(2,3-dihydro-1-benzofuran-5-yl)methyl]hydrazine (CID 105253191) is [(6-chloro-3-pyridinyl)-(2,3-dihydro-1-benzofuran-5-yl)methyl]hydrazine.
What is the SMILES notation for [(6-chloro-3-pyridinyl)-(2,3-dihydro-1-benzofuran-5-yl)methyl]hydrazine?
The canonical SMILES for [(6-chloro-3-pyridinyl)-(2,3-dihydro-1-benzofuran-5-yl)methyl]hydrazine is NNC(c1ccc(Cl)nc1)c1ccc2c(c1)CCO2.
What is the InChIKey of [(6-chloro-3-pyridinyl)-(2,3-dihydro-1-benzofuran-5-yl)methyl]hydrazine?
The InChIKey is AVLWWCPXRSOXLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClN3O/c15-13-4-2-11(8-17-13)14(18-16)10-1-3-12-9(7-10)5-6-19-12/h1-4,7-8,14,18H,5-6,16H2.
What are the key properties of [(6-chloro-3-pyridinyl)-(2,3-dihydro-1-benzofuran-5-yl)methyl]hydrazine?
[(6-chloro-3-pyridinyl)-(2,3-dihydro-1-benzofuran-5-yl)methyl]hydrazine has a molecular weight of 275.74 g/mol, XLogP of 2.22, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(6-chloro-3-pyridinyl)-(2,3-dihydro-1-benzofuran-5-yl)methyl]hydrazine is sourced from PubChem (CID 105253191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).