methyl 4-[[(3,5-dichloro-2-hydroxybenzoyl)amino]methyl]pyridine-2-carboxylate

C15H12Cl2N2O4 — CID 178146269

IUPACmethyl 4-[[(3,5-dichloro-2-hydroxybenzoyl)amino]methyl]pyridine-2-carboxylate
SMILESCOC(=O)c1cc(CNC(=O)c2cc(Cl)cc(Cl)c2O)ccn1
InChIInChI=1S/C15H12Cl2N2O4/c1-23-15(22)12-4-8(2-3-18-12)7-19-14(21)10-5-9(16)6-11(17)13(10)20/h2-6,20H,7H2,1H3,(H,19,21)
InChIKeyTYOCLUKDKYALQY-UHFFFAOYSA-N
MW355.18 g/mol
LogP2.81
Rot. Bonds4

About methyl 4-[[(3,5-dichloro-2-hydroxybenzoyl)amino]methyl]pyridine-2-carboxylate

methyl 4-[[(3,5-dichloro-2-hydroxybenzoyl)amino]methyl]pyridine-2-carboxylate (PubChem CID 178146269) has the molecular formula C15H12Cl2N2O4 and a molecular weight of 355.18 g/mol. Its IUPAC name is methyl 4-[[(3,5-dichloro-2-hydroxybenzoyl)amino]methyl]pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-[[(3,5-dichloro-2-hydroxybenzoyl)amino]methyl]pyridine-2-carboxylate
PubChem CID178146269
Molecular FormulaC15H12Cl2N2O4
Molecular Weight355.18 g/mol
Exact Mass354.02
IUPAC Namemethyl 4-[[(3,5-dichloro-2-hydroxybenzoyl)amino]methyl]pyridine-2-carboxylate
SMILESCOC(=O)c1cc(CNC(=O)c2cc(Cl)cc(Cl)c2O)ccn1
InChIInChI=1S/C15H12Cl2N2O4/c1-23-15(22)12-4-8(2-3-18-12)7-19-14(21)10-5-9(16)6-11(17)13(10)20/h2-6,20H,7H2,1H3,(H,19,21)
InChIKeyTYOCLUKDKYALQY-UHFFFAOYSA-N
XLogP2.81
TPSA88.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.18
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-[[(3,5-dichloro-2-hydroxybenzoyl)amino]methyl]pyridine-2-carbonyl chloride
CID 178146334
N-(cyclopropylmethyl)-5-[[(3,5-dichloro-2-hydroxybenzoyl)amino]methyl]pyridine-2-carboxamide
CID 178146344
methyl 4-(2-hydroxyethyl)pyridine-2-carboxylate
CID 15719002
methyl 4-[3-(5-chloro-2-methoxyphenyl)-2-oxopropyl]pyridine-2-carboxylate
CID 164963811
methyl 2-[(2-pyridin-4-yl-4-pyridinyl)methylcarbamoyl]benzoate
CID 121165433
methyl 4-(3-methoxy-3-oxopropyl)pyridine-2-carboxylate
CID 170989297
2,4-dichloro-N-[[2-(4-ethoxyphenoxy)-4-pyridinyl]methyl]benzamide
CID 55888077
4-chloro-N-[(4-methoxyphenyl)methyl]pyridine-2-carboxamide
CID 7802633
5-chloro-N-[(4-chlorophenyl)methyl]-8-hydroxyquinoline-7-carboxamide
CID 18372562
4-amino-3,5-dichloro-N-[(2-methoxy-4-pyridinyl)methyl]benzamide
CID 82783281
4-chloro-N-(pyridin-4-ylmethyl)pyridine-2-carboxamide
CID 43088257
chloroform;methane;methyl 4-ethylpyridine-2-carboxylate;methyl 4-(hydroxymethyl)pyridine-2-carboxylate
CID 164952426

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[(3,5-dichloro-2-hydroxybenzoyl)amino]methyl]pyridine-2-carboxylate?
The IUPAC name of methyl 4-[[(3,5-dichloro-2-hydroxybenzoyl)amino]methyl]pyridine-2-carboxylate (CID 178146269) is methyl 4-[[(3,5-dichloro-2-hydroxybenzoyl)amino]methyl]pyridine-2-carboxylate.
What is the SMILES notation for methyl 4-[[(3,5-dichloro-2-hydroxybenzoyl)amino]methyl]pyridine-2-carboxylate?
The canonical SMILES for methyl 4-[[(3,5-dichloro-2-hydroxybenzoyl)amino]methyl]pyridine-2-carboxylate is COC(=O)c1cc(CNC(=O)c2cc(Cl)cc(Cl)c2O)ccn1.
What is the InChIKey of methyl 4-[[(3,5-dichloro-2-hydroxybenzoyl)amino]methyl]pyridine-2-carboxylate?
The InChIKey is TYOCLUKDKYALQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Cl2N2O4/c1-23-15(22)12-4-8(2-3-18-12)7-19-14(21)10-5-9(16)6-11(17)13(10)20/h2-6,20H,7H2,1H3,(H,19,21).
What are the key properties of methyl 4-[[(3,5-dichloro-2-hydroxybenzoyl)amino]methyl]pyridine-2-carboxylate?
methyl 4-[[(3,5-dichloro-2-hydroxybenzoyl)amino]methyl]pyridine-2-carboxylate has a molecular weight of 355.18 g/mol, XLogP of 2.81, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[(3,5-dichloro-2-hydroxybenzoyl)amino]methyl]pyridine-2-carboxylate is sourced from PubChem (CID 178146269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).