5-[[(3,5-dichloro-2-hydroxybenzoyl)amino]methyl]pyridine-2-carbonyl chloride

C14H9Cl3N2O3 — CID 178146334

IUPAC5-[[(3,5-dichloro-2-hydroxybenzoyl)amino]methyl]pyridine-2-carbonyl chloride
SMILESO=C(Cl)c1ccc(CNC(=O)c2cc(Cl)cc(Cl)c2O)cn1
InChIInChI=1S/C14H9Cl3N2O3/c15-8-3-9(12(20)10(16)4-8)14(22)19-6-7-1-2-11(13(17)21)18-5-7/h1-5,20H,6H2,(H,19,22)
InChIKeyIDESGGXJJKWVDO-UHFFFAOYSA-N
MW359.60 g/mol
LogP3.40
Rot. Bonds4

About 5-[[(3,5-dichloro-2-hydroxybenzoyl)amino]methyl]pyridine-2-carbonyl chloride

5-[[(3,5-dichloro-2-hydroxybenzoyl)amino]methyl]pyridine-2-carbonyl chloride (PubChem CID 178146334) has the molecular formula C14H9Cl3N2O3 and a molecular weight of 359.60 g/mol. Its IUPAC name is 5-[[(3,5-dichloro-2-hydroxybenzoyl)amino]methyl]pyridine-2-carbonyl chloride.

Molecular Properties

Compound Name5-[[(3,5-dichloro-2-hydroxybenzoyl)amino]methyl]pyridine-2-carbonyl chloride
PubChem CID178146334
Molecular FormulaC14H9Cl3N2O3
Molecular Weight359.60 g/mol
Exact Mass357.97
IUPAC Name5-[[(3,5-dichloro-2-hydroxybenzoyl)amino]methyl]pyridine-2-carbonyl chloride
SMILESO=C(Cl)c1ccc(CNC(=O)c2cc(Cl)cc(Cl)c2O)cn1
InChIInChI=1S/C14H9Cl3N2O3/c15-8-3-9(12(20)10(16)4-8)14(22)19-6-7-1-2-11(13(17)21)18-5-7/h1-5,20H,6H2,(H,19,22)
InChIKeyIDESGGXJJKWVDO-UHFFFAOYSA-N
XLogP3.40
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.60
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}

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Related Compounds

N-(cyclopropylmethyl)-5-[[(3,5-dichloro-2-hydroxybenzoyl)amino]methyl]pyridine-2-carboxamide
CID 178146344
methyl 4-[[(3,5-dichloro-2-hydroxybenzoyl)amino]methyl]pyridine-2-carboxylate
CID 178146269
5-[[(5-chloro-2-methylbenzoyl)amino]methyl]pyridine-2-carboxylic acid
CID 82871594
5-[[(5-bromo-2-chlorobenzoyl)amino]methyl]pyridine-2-carboxylic acid
CID 81092297
5-[[(3-chloro-2-fluorobenzoyl)amino]methyl]pyridine-2-carboxylic acid
CID 81266256
5-[[(3-chloro-2-methylbenzoyl)amino]methyl]pyridine-2-carboxylic acid
CID 107096018
5-[[(2-hydroxy-5-iodobenzoyl)amino]methyl]pyridine-2-carboxylic acid
CID 107731417
5-chloro-N-[[4-(hydroxymethyl)phenyl]methyl]pyridine-2-carboxamide
CID 107231717
2,5-dichloro-N-[(6-piperidin-1-yl-3-pyridinyl)methyl]benzamide
CID 55735153
3,5-dichloro-N-[[4-(hydroxymethyl)phenyl]methyl]-2-iodobenzamide
CID 107232664
5-[[(2-chloro-6-fluorobenzoyl)amino]methyl]pyridine-2-carboxylic acid
CID 81091399
5-chloro-N-[(4-chlorophenyl)methyl]-8-hydroxyquinoline-7-carboxamide
CID 18372562

Frequently Asked Questions

What is the IUPAC name of 5-[[(3,5-dichloro-2-hydroxybenzoyl)amino]methyl]pyridine-2-carbonyl chloride?
The IUPAC name of 5-[[(3,5-dichloro-2-hydroxybenzoyl)amino]methyl]pyridine-2-carbonyl chloride (CID 178146334) is 5-[[(3,5-dichloro-2-hydroxybenzoyl)amino]methyl]pyridine-2-carbonyl chloride.
What is the SMILES notation for 5-[[(3,5-dichloro-2-hydroxybenzoyl)amino]methyl]pyridine-2-carbonyl chloride?
The canonical SMILES for 5-[[(3,5-dichloro-2-hydroxybenzoyl)amino]methyl]pyridine-2-carbonyl chloride is O=C(Cl)c1ccc(CNC(=O)c2cc(Cl)cc(Cl)c2O)cn1.
What is the InChIKey of 5-[[(3,5-dichloro-2-hydroxybenzoyl)amino]methyl]pyridine-2-carbonyl chloride?
The InChIKey is IDESGGXJJKWVDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9Cl3N2O3/c15-8-3-9(12(20)10(16)4-8)14(22)19-6-7-1-2-11(13(17)21)18-5-7/h1-5,20H,6H2,(H,19,22).
What are the key properties of 5-[[(3,5-dichloro-2-hydroxybenzoyl)amino]methyl]pyridine-2-carbonyl chloride?
5-[[(3,5-dichloro-2-hydroxybenzoyl)amino]methyl]pyridine-2-carbonyl chloride has a molecular weight of 359.60 g/mol, XLogP of 3.40, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(3,5-dichloro-2-hydroxybenzoyl)amino]methyl]pyridine-2-carbonyl chloride is sourced from PubChem (CID 178146334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).