N-(2,6-dichloropyrimidin-4-yl)-2,6-dihydroxybenzamide

C11H7Cl2N3O3 — CID 114073603

IUPACN-(2,6-dichloropyrimidin-4-yl)-2,6-dihydroxybenzamide
SMILESO=C(Nc1cc(Cl)nc(Cl)n1)c1c(O)cccc1O
InChIInChI=1S/C11H7Cl2N3O3/c12-7-4-8(16-11(13)14-7)15-10(19)9-5(17)2-1-3-6(9)18/h1-4,17-18H,(H,14,15,16,19)
InChIKeyYLXPZQMGHDUYMV-UHFFFAOYSA-N
MW300.10 g/mol
LogP2.45
Rot. Bonds2

About N-(2,6-dichloropyrimidin-4-yl)-2,6-dihydroxybenzamide

N-(2,6-dichloropyrimidin-4-yl)-2,6-dihydroxybenzamide (PubChem CID 114073603) has the molecular formula C11H7Cl2N3O3 and a molecular weight of 300.10 g/mol. Its IUPAC name is N-(2,6-dichloropyrimidin-4-yl)-2,6-dihydroxybenzamide.

Molecular Properties

Compound NameN-(2,6-dichloropyrimidin-4-yl)-2,6-dihydroxybenzamide
PubChem CID114073603
Molecular FormulaC11H7Cl2N3O3
Molecular Weight300.10 g/mol
Exact Mass298.99
IUPAC NameN-(2,6-dichloropyrimidin-4-yl)-2,6-dihydroxybenzamide
SMILESO=C(Nc1cc(Cl)nc(Cl)n1)c1c(O)cccc1O
InChIInChI=1S/C11H7Cl2N3O3/c12-7-4-8(16-11(13)14-7)15-10(19)9-5(17)2-1-3-6(9)18/h1-4,17-18H,(H,14,15,16,19)
InChIKeyYLXPZQMGHDUYMV-UHFFFAOYSA-N
XLogP2.45
TPSA95.34 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.10
LogP ≤ 52.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,6-dichloropyrimidin-4-yl)-2,6-dimethylbenzamide
CID 114073585
N-(2,6-dichloropyrimidin-4-yl)-2-hydroxybenzamide
CID 114073527
N-(2,6-dichloropyrimidin-4-yl)-6-oxo-1H-pyridazine-3-carboxamide
CID 114073335
N-(2,6-dichloropyrimidin-4-yl)-2-fluoro-5-methylbenzamide
CID 114073080
N-(3,5-dichlorophenyl)-2,6-dihydroxybenzamide
CID 107688954
propan-2-yl N-(2,6-dichloropyrimidin-4-yl)carbamate
CID 131748063
N-(4,6-dimethylpyrimidin-2-yl)-2,6-dihydroxybenzamide
CID 107688990
N-[4-[(2,6-dichloropyrimidin-4-yl)amino]phenyl]acetamide
CID 10613916
N-(4-chloro-6-methylpyrimidin-2-yl)-2-fluoro-6-hydroxybenzamide
CID 114053411
(4-nitrophenyl) N-(2,6-dichloropyrimidin-4-yl)carbamate
CID 155292903
2,6-dichloro-N-(4,6-dimethyl-2-pyridinyl)benzamide
CID 5099860
N-(2-chloro-4-cyanophenyl)-2,6-dihydroxybenzamide
CID 107808194

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dichloropyrimidin-4-yl)-2,6-dihydroxybenzamide?
The IUPAC name of N-(2,6-dichloropyrimidin-4-yl)-2,6-dihydroxybenzamide (CID 114073603) is N-(2,6-dichloropyrimidin-4-yl)-2,6-dihydroxybenzamide.
What is the SMILES notation for N-(2,6-dichloropyrimidin-4-yl)-2,6-dihydroxybenzamide?
The canonical SMILES for N-(2,6-dichloropyrimidin-4-yl)-2,6-dihydroxybenzamide is O=C(Nc1cc(Cl)nc(Cl)n1)c1c(O)cccc1O.
What is the InChIKey of N-(2,6-dichloropyrimidin-4-yl)-2,6-dihydroxybenzamide?
The InChIKey is YLXPZQMGHDUYMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7Cl2N3O3/c12-7-4-8(16-11(13)14-7)15-10(19)9-5(17)2-1-3-6(9)18/h1-4,17-18H,(H,14,15,16,19).
What are the key properties of N-(2,6-dichloropyrimidin-4-yl)-2,6-dihydroxybenzamide?
N-(2,6-dichloropyrimidin-4-yl)-2,6-dihydroxybenzamide has a molecular weight of 300.10 g/mol, XLogP of 2.45, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dichloropyrimidin-4-yl)-2,6-dihydroxybenzamide is sourced from PubChem (CID 114073603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).