N-(2-chloro-3-pyridinyl)-N-(2-hydroxyphenyl)formamide

C12H9ClN2O2 — CID 174438856

IUPACN-(2-chloro-3-pyridinyl)-N-(2-hydroxyphenyl)formamide
SMILESO=CN(c1ccccc1O)c1cccnc1Cl
InChIInChI=1S/C12H9ClN2O2/c13-12-10(5-3-7-14-12)15(8-16)9-4-1-2-6-11(9)17/h1-8,17H
InChIKeyMBGUWLHIOXMDLW-UHFFFAOYSA-N
MW248.67 g/mol
LogP2.74
Rot. Bonds3

About N-(2-chloro-3-pyridinyl)-N-(2-hydroxyphenyl)formamide

N-(2-chloro-3-pyridinyl)-N-(2-hydroxyphenyl)formamide (PubChem CID 174438856) has the molecular formula C12H9ClN2O2 and a molecular weight of 248.67 g/mol. Its IUPAC name is N-(2-chloro-3-pyridinyl)-N-(2-hydroxyphenyl)formamide.

Molecular Properties

Compound NameN-(2-chloro-3-pyridinyl)-N-(2-hydroxyphenyl)formamide
PubChem CID174438856
Molecular FormulaC12H9ClN2O2
Molecular Weight248.67 g/mol
Exact Mass248.04
IUPAC NameN-(2-chloro-3-pyridinyl)-N-(2-hydroxyphenyl)formamide
SMILESO=CN(c1ccccc1O)c1cccnc1Cl
InChIInChI=1S/C12H9ClN2O2/c13-12-10(5-3-7-14-12)15(8-16)9-4-1-2-6-11(9)17/h1-8,17H
InChIKeyMBGUWLHIOXMDLW-UHFFFAOYSA-N
XLogP2.74
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.67
LogP ≤ 52.74
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-(2-chloro-3-pyridinyl)-N-(2-hydroxyphenyl)formamide?
The IUPAC name of N-(2-chloro-3-pyridinyl)-N-(2-hydroxyphenyl)formamide (CID 174438856) is N-(2-chloro-3-pyridinyl)-N-(2-hydroxyphenyl)formamide.
What is the SMILES notation for N-(2-chloro-3-pyridinyl)-N-(2-hydroxyphenyl)formamide?
The canonical SMILES for N-(2-chloro-3-pyridinyl)-N-(2-hydroxyphenyl)formamide is O=CN(c1ccccc1O)c1cccnc1Cl.
What is the InChIKey of N-(2-chloro-3-pyridinyl)-N-(2-hydroxyphenyl)formamide?
The InChIKey is MBGUWLHIOXMDLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClN2O2/c13-12-10(5-3-7-14-12)15(8-16)9-4-1-2-6-11(9)17/h1-8,17H.
What are the key properties of N-(2-chloro-3-pyridinyl)-N-(2-hydroxyphenyl)formamide?
N-(2-chloro-3-pyridinyl)-N-(2-hydroxyphenyl)formamide has a molecular weight of 248.67 g/mol, XLogP of 2.74, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-3-pyridinyl)-N-(2-hydroxyphenyl)formamide is sourced from PubChem (CID 174438856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).