6-[(5-chloro-2-methoxybenzoyl)amino]pyridine-3-carbonyl chloride

C14H10Cl2N2O3 — CID 174302752

IUPAC6-[(5-chloro-2-methoxybenzoyl)amino]pyridine-3-carbonyl chloride
SMILESCOc1ccc(Cl)cc1C(=O)Nc1ccc(C(=O)Cl)cn1
InChIInChI=1S/C14H10Cl2N2O3/c1-21-11-4-3-9(15)6-10(11)14(20)18-12-5-2-8(7-17-12)13(16)19/h2-7H,1H3,(H,17,18,20)
InChIKeyKMWFDDCUMIXXLJ-UHFFFAOYSA-N
MW325.15 g/mol
LogP3.37
Rot. Bonds4

About 6-[(5-chloro-2-methoxybenzoyl)amino]pyridine-3-carbonyl chloride

6-[(5-chloro-2-methoxybenzoyl)amino]pyridine-3-carbonyl chloride (PubChem CID 174302752) has the molecular formula C14H10Cl2N2O3 and a molecular weight of 325.15 g/mol. Its IUPAC name is 6-[(5-chloro-2-methoxybenzoyl)amino]pyridine-3-carbonyl chloride.

Molecular Properties

Compound Name6-[(5-chloro-2-methoxybenzoyl)amino]pyridine-3-carbonyl chloride
PubChem CID174302752
Molecular FormulaC14H10Cl2N2O3
Molecular Weight325.15 g/mol
Exact Mass324.01
IUPAC Name6-[(5-chloro-2-methoxybenzoyl)amino]pyridine-3-carbonyl chloride
SMILESCOc1ccc(Cl)cc1C(=O)Nc1ccc(C(=O)Cl)cn1
InChIInChI=1S/C14H10Cl2N2O3/c1-21-11-4-3-9(15)6-10(11)14(20)18-12-5-2-8(7-17-12)13(16)19/h2-7H,1H3,(H,17,18,20)
InChIKeyKMWFDDCUMIXXLJ-UHFFFAOYSA-N
XLogP3.37
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.15
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-chloro-2-methoxy-N-(4-methyl-2-pyridinyl)benzamide
CID 762528
5-chloro-2-methoxy-N-(5-piperazin-1-yl-2-pyridinyl)benzamide;hydrochloride
CID 119494570
N-(5-chloro-2-pyridinyl)-3-methoxy-4-methylbenzamide
CID 47122719
N-(5-chloro-2-pyridinyl)-3,4,5-trimethoxybenzamide
CID 673854
5-chloro-N-(4,6-dimethyl-2-pyridinyl)-2-methoxybenzamide
CID 868750
6-[(2,5-dichlorobenzoyl)amino]pyridine-3-carboxylic acid
CID 22099748
5-chloro-N'-(5-chloro-2-methoxybenzoyl)-2-methoxybenzohydrazide
CID 7922079
6-[(5-chloro-2-methoxybenzoyl)amino]pyridine-2-carboxylic acid
CID 63643423
methyl 4-[(5-chloro-2-methoxybenzoyl)amino]-3-hydroxybenzoate
CID 108767153
[2-[2-(5-chloro-2-methoxybenzoyl)hydrazinyl]-2-oxoethyl] 6-chloropyridine-3-carboxylate
CID 8017426
N-(5-chloro-2-methoxyphenyl)-6-(ethylamino)pyridine-3-carboxamide
CID 62171907
N-[5-(5-chloro-2-methoxyanilino)-2-pyridinyl]-4-methoxybenzamide
CID 113033826

Frequently Asked Questions

What is the IUPAC name of 6-[(5-chloro-2-methoxybenzoyl)amino]pyridine-3-carbonyl chloride?
The IUPAC name of 6-[(5-chloro-2-methoxybenzoyl)amino]pyridine-3-carbonyl chloride (CID 174302752) is 6-[(5-chloro-2-methoxybenzoyl)amino]pyridine-3-carbonyl chloride.
What is the SMILES notation for 6-[(5-chloro-2-methoxybenzoyl)amino]pyridine-3-carbonyl chloride?
The canonical SMILES for 6-[(5-chloro-2-methoxybenzoyl)amino]pyridine-3-carbonyl chloride is COc1ccc(Cl)cc1C(=O)Nc1ccc(C(=O)Cl)cn1.
What is the InChIKey of 6-[(5-chloro-2-methoxybenzoyl)amino]pyridine-3-carbonyl chloride?
The InChIKey is KMWFDDCUMIXXLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Cl2N2O3/c1-21-11-4-3-9(15)6-10(11)14(20)18-12-5-2-8(7-17-12)13(16)19/h2-7H,1H3,(H,17,18,20).
What are the key properties of 6-[(5-chloro-2-methoxybenzoyl)amino]pyridine-3-carbonyl chloride?
6-[(5-chloro-2-methoxybenzoyl)amino]pyridine-3-carbonyl chloride has a molecular weight of 325.15 g/mol, XLogP of 3.37, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(5-chloro-2-methoxybenzoyl)amino]pyridine-3-carbonyl chloride is sourced from PubChem (CID 174302752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).