5-chloro-6-[1-(3-chlorophenyl)ethyl-methylamino]pyridine-3-carboxylic acid

C15H14Cl2N2O2 — CID 63537031

IUPAC5-chloro-6-[1-(3-chlorophenyl)ethyl-methylamino]pyridine-3-carboxylic acid
SMILESCC(c1cccc(Cl)c1)N(C)c1ncc(C(=O)O)cc1Cl
InChIInChI=1S/C15H14Cl2N2O2/c1-9(10-4-3-5-12(16)6-10)19(2)14-13(17)7-11(8-18-14)15(20)21/h3-9H,1-2H3,(H,20,21)
InChIKeyUTBKOGAIPFJBFM-UHFFFAOYSA-N
MW325.20 g/mol
LogP4.28
Rot. Bonds4

About 5-chloro-6-[1-(3-chlorophenyl)ethyl-methylamino]pyridine-3-carboxylic acid

5-chloro-6-[1-(3-chlorophenyl)ethyl-methylamino]pyridine-3-carboxylic acid (PubChem CID 63537031) has the molecular formula C15H14Cl2N2O2 and a molecular weight of 325.20 g/mol. Its IUPAC name is 5-chloro-6-[1-(3-chlorophenyl)ethyl-methylamino]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-chloro-6-[1-(3-chlorophenyl)ethyl-methylamino]pyridine-3-carboxylic acid
PubChem CID63537031
Molecular FormulaC15H14Cl2N2O2
Molecular Weight325.20 g/mol
Exact Mass324.04
IUPAC Name5-chloro-6-[1-(3-chlorophenyl)ethyl-methylamino]pyridine-3-carboxylic acid
SMILESCC(c1cccc(Cl)c1)N(C)c1ncc(C(=O)O)cc1Cl
InChIInChI=1S/C15H14Cl2N2O2/c1-9(10-4-3-5-12(16)6-10)19(2)14-13(17)7-11(8-18-14)15(20)21/h3-9H,1-2H3,(H,20,21)
InChIKeyUTBKOGAIPFJBFM-UHFFFAOYSA-N
XLogP4.28
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.20
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-amino-6-[1-(4-chlorophenyl)ethyl-methylamino]pyridine-3-carboxylic acid
CID 81446929
2-[1-(3-chlorophenyl)ethyl-methylamino]-1,3-thiazole-5-carboxylic acid
CID 62985295
6-amino-5-chloro-N-[1-(3-chlorophenyl)ethyl]-N-methylpyridine-3-carboxamide
CID 62728769
3-bromo-N-[1-(3-chlorophenyl)ethyl]-N,5-dimethylpyridin-2-amine
CID 105367908
6-amino-N-[1-(3-chlorophenyl)ethyl]-N-methylpyridine-3-carboxamide
CID 62978574
5-chloro-4-N-[1-(3-chlorophenyl)ethyl]-2-N,4-N-dimethylpyrimidine-2,4-diamine
CID 80823025
2-[1-(3-chlorophenyl)ethyl-methylamino]propanoic acid
CID 62979883
2-[1-(3-chlorophenyl)ethyl-methylamino]-5-methyl-1,3-thiazole-4-carboxylic acid
CID 115424410
5-amino-6-[1-(3-chlorophenyl)ethyl-methylamino]pyridine-2-carboxamide
CID 114406497
[5-chloro-6-[1-(4-chlorophenyl)ethyl-methylamino]-3-pyridinyl]methanol
CID 62978853
5-amino-2-[1-(3-chlorophenyl)ethyl-methylamino]benzoic acid
CID 62979618
2-[1-(3-chlorophenyl)ethyl-propan-2-ylamino]acetic acid
CID 65056740

Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-[1-(3-chlorophenyl)ethyl-methylamino]pyridine-3-carboxylic acid?
The IUPAC name of 5-chloro-6-[1-(3-chlorophenyl)ethyl-methylamino]pyridine-3-carboxylic acid (CID 63537031) is 5-chloro-6-[1-(3-chlorophenyl)ethyl-methylamino]pyridine-3-carboxylic acid.
What is the SMILES notation for 5-chloro-6-[1-(3-chlorophenyl)ethyl-methylamino]pyridine-3-carboxylic acid?
The canonical SMILES for 5-chloro-6-[1-(3-chlorophenyl)ethyl-methylamino]pyridine-3-carboxylic acid is CC(c1cccc(Cl)c1)N(C)c1ncc(C(=O)O)cc1Cl.
What is the InChIKey of 5-chloro-6-[1-(3-chlorophenyl)ethyl-methylamino]pyridine-3-carboxylic acid?
The InChIKey is UTBKOGAIPFJBFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Cl2N2O2/c1-9(10-4-3-5-12(16)6-10)19(2)14-13(17)7-11(8-18-14)15(20)21/h3-9H,1-2H3,(H,20,21).
What are the key properties of 5-chloro-6-[1-(3-chlorophenyl)ethyl-methylamino]pyridine-3-carboxylic acid?
5-chloro-6-[1-(3-chlorophenyl)ethyl-methylamino]pyridine-3-carboxylic acid has a molecular weight of 325.20 g/mol, XLogP of 4.28, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-[1-(3-chlorophenyl)ethyl-methylamino]pyridine-3-carboxylic acid is sourced from PubChem (CID 63537031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).