5-[(3,4-dichlorophenyl)methyl-methylamino]pyridine-2-carboxylic acid

C14H12Cl2N2O2 — CID 12640199

IUPAC5-[(3,4-dichlorophenyl)methyl-methylamino]pyridine-2-carboxylic acid
SMILESCN(Cc1ccc(Cl)c(Cl)c1)c1ccc(C(=O)O)nc1
InChIInChI=1S/C14H12Cl2N2O2/c1-18(8-9-2-4-11(15)12(16)6-9)10-3-5-13(14(19)20)17-7-10/h2-7H,8H2,1H3,(H,19,20)
InChIKeyROBXXTYUDRSYPQ-UHFFFAOYSA-N
MW311.17 g/mol
LogP3.72
Rot. Bonds4

About 5-[(3,4-dichlorophenyl)methyl-methylamino]pyridine-2-carboxylic acid

5-[(3,4-dichlorophenyl)methyl-methylamino]pyridine-2-carboxylic acid (PubChem CID 12640199) has the molecular formula C14H12Cl2N2O2 and a molecular weight of 311.17 g/mol. Its IUPAC name is 5-[(3,4-dichlorophenyl)methyl-methylamino]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-[(3,4-dichlorophenyl)methyl-methylamino]pyridine-2-carboxylic acid
PubChem CID12640199
Molecular FormulaC14H12Cl2N2O2
Molecular Weight311.17 g/mol
Exact Mass310.03
IUPAC Name5-[(3,4-dichlorophenyl)methyl-methylamino]pyridine-2-carboxylic acid
SMILESCN(Cc1ccc(Cl)c(Cl)c1)c1ccc(C(=O)O)nc1
InChIInChI=1S/C14H12Cl2N2O2/c1-18(8-9-2-4-11(15)12(16)6-9)10-3-5-13(14(19)20)17-7-10/h2-7H,8H2,1H3,(H,19,20)
InChIKeyROBXXTYUDRSYPQ-UHFFFAOYSA-N
XLogP3.72
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.17
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[(3,4-dichlorophenyl)methyl-methylamino]pyridine-2-carboxylic acid?
The IUPAC name of 5-[(3,4-dichlorophenyl)methyl-methylamino]pyridine-2-carboxylic acid (CID 12640199) is 5-[(3,4-dichlorophenyl)methyl-methylamino]pyridine-2-carboxylic acid.
What is the SMILES notation for 5-[(3,4-dichlorophenyl)methyl-methylamino]pyridine-2-carboxylic acid?
The canonical SMILES for 5-[(3,4-dichlorophenyl)methyl-methylamino]pyridine-2-carboxylic acid is CN(Cc1ccc(Cl)c(Cl)c1)c1ccc(C(=O)O)nc1.
What is the InChIKey of 5-[(3,4-dichlorophenyl)methyl-methylamino]pyridine-2-carboxylic acid?
The InChIKey is ROBXXTYUDRSYPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Cl2N2O2/c1-18(8-9-2-4-11(15)12(16)6-9)10-3-5-13(14(19)20)17-7-10/h2-7H,8H2,1H3,(H,19,20).
What are the key properties of 5-[(3,4-dichlorophenyl)methyl-methylamino]pyridine-2-carboxylic acid?
5-[(3,4-dichlorophenyl)methyl-methylamino]pyridine-2-carboxylic acid has a molecular weight of 311.17 g/mol, XLogP of 3.72, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3,4-dichlorophenyl)methyl-methylamino]pyridine-2-carboxylic acid is sourced from PubChem (CID 12640199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).