6-[[3-chloro-4-methoxy-5-(trifluoromethyl)benzoyl]amino]pyridine-3-carboxylic acid

C15H10ClF3N2O4 — CID 67041574

IUPAC6-[[3-chloro-4-methoxy-5-(trifluoromethyl)benzoyl]amino]pyridine-3-carboxylic acid
SMILESCOc1c(Cl)cc(C(=O)Nc2ccc(C(=O)O)cn2)cc1C(F)(F)F
InChIInChI=1S/C15H10ClF3N2O4/c1-25-12-9(15(17,18)19)4-8(5-10(12)16)13(22)21-11-3-2-7(6-20-11)14(23)24/h2-6H,1H3,(H,23,24)(H,20,21,22)
InChIKeyODTQHCQPFMKBNH-UHFFFAOYSA-N
MW374.70 g/mol
LogP3.71
Rot. Bonds4

About 6-[[3-chloro-4-methoxy-5-(trifluoromethyl)benzoyl]amino]pyridine-3-carboxylic acid

6-[[3-chloro-4-methoxy-5-(trifluoromethyl)benzoyl]amino]pyridine-3-carboxylic acid (PubChem CID 67041574) has the molecular formula C15H10ClF3N2O4 and a molecular weight of 374.70 g/mol. Its IUPAC name is 6-[[3-chloro-4-methoxy-5-(trifluoromethyl)benzoyl]amino]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-[[3-chloro-4-methoxy-5-(trifluoromethyl)benzoyl]amino]pyridine-3-carboxylic acid
PubChem CID67041574
Molecular FormulaC15H10ClF3N2O4
Molecular Weight374.70 g/mol
Exact Mass374.03
IUPAC Name6-[[3-chloro-4-methoxy-5-(trifluoromethyl)benzoyl]amino]pyridine-3-carboxylic acid
SMILESCOc1c(Cl)cc(C(=O)Nc2ccc(C(=O)O)cn2)cc1C(F)(F)F
InChIInChI=1S/C15H10ClF3N2O4/c1-25-12-9(15(17,18)19)4-8(5-10(12)16)13(22)21-11-3-2-7(6-20-11)14(23)24/h2-6H,1H3,(H,23,24)(H,20,21,22)
InChIKeyODTQHCQPFMKBNH-UHFFFAOYSA-N
XLogP3.71
TPSA88.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.70
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-4-methoxy-5-(trifluoromethyl)benzoic acid
CID 67041821
6-[(3,4-dichlorobenzoyl)amino]pyridine-3-carboxylic acid
CID 61317958
3-chloro-4,5-dimethoxy-N-(5-methyl-2-pyridinyl)benzamide
CID 17395012
6-[[4-fluoro-2-(trifluoromethyl)benzoyl]amino]pyridine-3-carboxylic acid
CID 22099714
N-(5-chloro-2-pyridinyl)-3,4,5-trimethoxybenzamide
CID 673854
6-[(2,5-dichlorobenzoyl)amino]pyridine-3-carboxylic acid
CID 22099748
6-[(2-fluoro-4-methoxybenzoyl)amino]pyridine-3-carboxylic acid
CID 102881937
4-chloro-3-[(3,5-dichloro-4-methoxybenzoyl)amino]benzoic acid
CID 28673811
3-chloro-N-(5-chloro-2-pyridinyl)-5-methoxy-4-propan-2-yloxybenzamide
CID 34135778
3-chloro-5-[(3,4-dichlorobenzoyl)amino]-4-methoxybenzoic acid
CID 28668233
3-chloro-5-[(4-chlorobenzoyl)amino]-4-methoxybenzoic acid
CID 28667648
6-[(2-hydroxy-4-methoxybenzoyl)amino]pyridine-3-carboxylic acid
CID 61317558

Frequently Asked Questions

What is the IUPAC name of 6-[[3-chloro-4-methoxy-5-(trifluoromethyl)benzoyl]amino]pyridine-3-carboxylic acid?
The IUPAC name of 6-[[3-chloro-4-methoxy-5-(trifluoromethyl)benzoyl]amino]pyridine-3-carboxylic acid (CID 67041574) is 6-[[3-chloro-4-methoxy-5-(trifluoromethyl)benzoyl]amino]pyridine-3-carboxylic acid.
What is the SMILES notation for 6-[[3-chloro-4-methoxy-5-(trifluoromethyl)benzoyl]amino]pyridine-3-carboxylic acid?
The canonical SMILES for 6-[[3-chloro-4-methoxy-5-(trifluoromethyl)benzoyl]amino]pyridine-3-carboxylic acid is COc1c(Cl)cc(C(=O)Nc2ccc(C(=O)O)cn2)cc1C(F)(F)F.
What is the InChIKey of 6-[[3-chloro-4-methoxy-5-(trifluoromethyl)benzoyl]amino]pyridine-3-carboxylic acid?
The InChIKey is ODTQHCQPFMKBNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClF3N2O4/c1-25-12-9(15(17,18)19)4-8(5-10(12)16)13(22)21-11-3-2-7(6-20-11)14(23)24/h2-6H,1H3,(H,23,24)(H,20,21,22).
What are the key properties of 6-[[3-chloro-4-methoxy-5-(trifluoromethyl)benzoyl]amino]pyridine-3-carboxylic acid?
6-[[3-chloro-4-methoxy-5-(trifluoromethyl)benzoyl]amino]pyridine-3-carboxylic acid has a molecular weight of 374.70 g/mol, XLogP of 3.71, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[3-chloro-4-methoxy-5-(trifluoromethyl)benzoyl]amino]pyridine-3-carboxylic acid is sourced from PubChem (CID 67041574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).