N-benzyl-N-(2-hydroxyethyl)formamide;2,6-difluoro-3-methylpyridine

C16H18F2N2O2 — CID 143805717

IUPACN-benzyl-N-(2-hydroxyethyl)formamide;2,6-difluoro-3-methylpyridine
SMILESCc1ccc(F)nc1F.O=CN(CCO)Cc1ccccc1
InChIInChI=1S/C10H13NO2.C6H5F2N/c12-7-6-11(9-13)8-10-4-2-1-3-5-10;1-4-2-3-5(7)9-6(4)8/h1-5,9,12H,6-8H2;2-3H,1H3
InChIKeyRLZQVHIRXMJDPK-UHFFFAOYSA-N
MW308.33 g/mol
LogP2.31
Rot. Bonds5

About N-benzyl-N-(2-hydroxyethyl)formamide;2,6-difluoro-3-methylpyridine

N-benzyl-N-(2-hydroxyethyl)formamide;2,6-difluoro-3-methylpyridine (PubChem CID 143805717) has the molecular formula C16H18F2N2O2 and a molecular weight of 308.33 g/mol. Its IUPAC name is N-benzyl-N-(2-hydroxyethyl)formamide;2,6-difluoro-3-methylpyridine.

Molecular Properties

Compound NameN-benzyl-N-(2-hydroxyethyl)formamide;2,6-difluoro-3-methylpyridine
PubChem CID143805717
Molecular FormulaC16H18F2N2O2
Molecular Weight308.33 g/mol
Exact Mass308.13
IUPAC NameN-benzyl-N-(2-hydroxyethyl)formamide;2,6-difluoro-3-methylpyridine
SMILESCc1ccc(F)nc1F.O=CN(CCO)Cc1ccccc1
InChIInChI=1S/C10H13NO2.C6H5F2N/c12-7-6-11(9-13)8-10-4-2-1-3-5-10;1-4-2-3-5(7)9-6(4)8/h1-5,9,12H,6-8H2;2-3H,1H3
InChIKeyRLZQVHIRXMJDPK-UHFFFAOYSA-N
XLogP2.31
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.33
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-(2-hydroxyethyl)formamide;2,6-difluoro-3-methylpyridine?
The IUPAC name of N-benzyl-N-(2-hydroxyethyl)formamide;2,6-difluoro-3-methylpyridine (CID 143805717) is N-benzyl-N-(2-hydroxyethyl)formamide;2,6-difluoro-3-methylpyridine.
What is the SMILES notation for N-benzyl-N-(2-hydroxyethyl)formamide;2,6-difluoro-3-methylpyridine?
The canonical SMILES for N-benzyl-N-(2-hydroxyethyl)formamide;2,6-difluoro-3-methylpyridine is Cc1ccc(F)nc1F.O=CN(CCO)Cc1ccccc1.
What is the InChIKey of N-benzyl-N-(2-hydroxyethyl)formamide;2,6-difluoro-3-methylpyridine?
The InChIKey is RLZQVHIRXMJDPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO2.C6H5F2N/c12-7-6-11(9-13)8-10-4-2-1-3-5-10;1-4-2-3-5(7)9-6(4)8/h1-5,9,12H,6-8H2;2-3H,1H3.
What are the key properties of N-benzyl-N-(2-hydroxyethyl)formamide;2,6-difluoro-3-methylpyridine?
N-benzyl-N-(2-hydroxyethyl)formamide;2,6-difluoro-3-methylpyridine has a molecular weight of 308.33 g/mol, XLogP of 2.31, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-(2-hydroxyethyl)formamide;2,6-difluoro-3-methylpyridine is sourced from PubChem (CID 143805717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).