3-chloro-6-[(3-fluorophenyl)methyl-methylamino]pyridine-2-carboxylic acid

C14H12ClFN2O2 — CID 28822094

IUPAC3-chloro-6-[(3-fluorophenyl)methyl-methylamino]pyridine-2-carboxylic acid
SMILESCN(Cc1cccc(F)c1)c1ccc(Cl)c(C(=O)O)n1
InChIInChI=1S/C14H12ClFN2O2/c1-18(8-9-3-2-4-10(16)7-9)12-6-5-11(15)13(17-12)14(19)20/h2-7H,8H2,1H3,(H,19,20)
InChIKeyJAEWBVHDNGYEND-UHFFFAOYSA-N
MW294.71 g/mol
LogP3.21
Rot. Bonds4

About 3-chloro-6-[(3-fluorophenyl)methyl-methylamino]pyridine-2-carboxylic acid

3-chloro-6-[(3-fluorophenyl)methyl-methylamino]pyridine-2-carboxylic acid (PubChem CID 28822094) has the molecular formula C14H12ClFN2O2 and a molecular weight of 294.71 g/mol. Its IUPAC name is 3-chloro-6-[(3-fluorophenyl)methyl-methylamino]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name3-chloro-6-[(3-fluorophenyl)methyl-methylamino]pyridine-2-carboxylic acid
PubChem CID28822094
Molecular FormulaC14H12ClFN2O2
Molecular Weight294.71 g/mol
Exact Mass294.06
IUPAC Name3-chloro-6-[(3-fluorophenyl)methyl-methylamino]pyridine-2-carboxylic acid
SMILESCN(Cc1cccc(F)c1)c1ccc(Cl)c(C(=O)O)n1
InChIInChI=1S/C14H12ClFN2O2/c1-18(8-9-3-2-4-10(16)7-9)12-6-5-11(15)13(17-12)14(19)20/h2-7H,8H2,1H3,(H,19,20)
InChIKeyJAEWBVHDNGYEND-UHFFFAOYSA-N
XLogP3.21
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.71
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-Chloro-2-phenylpyrimidine-4-carboxylic acid
CID 57431698
6-(Diethylamino)pyridine-2-carboxylic acid
CID 1953738
2-(4-Chlorophenyl)-6-methylpyrimidine-4-carboxylic acid
CID 55114861
1,2-[[6-(Carboxy)-pyridin-2-yl]-methylamino] ethane
CID 62255724
3-chloro-6-[(1S*,3R*)-3-hydroxy-1-methoxy-1-methyl-7-azaspiro[3.5]non-7-yl]-2-pyridinecarboxylic acid
CID 72925373
3-chloro-6-[(3R*,4R*)-3-hydroxy-3,4-dimethyl-1-pyrrolidinyl]-2-pyridinecarboxylic acid
CID 72934266
3-chloro-6-[(3R)-3-(2-fluorophenyl)pyrrolidin-1-yl]pyridine-2-carboxylic acid
CID 97271005
3-chloro-6-[4-[(1S)-1-hydroxy-3-phenylpropyl]piperidin-1-yl]pyridine-2-carboxylic acid
CID 97281236
6-[[2-(Dimethylamino)phenyl]methyl-methylamino]pyridine-2-carboxylic acid
CID 122057521
6-[(2R)-2-(4-chlorophenyl)morpholin-4-yl]pyridine-2-carboxylic acid
CID 122057768
6-[[(2S)-2-hydroxy-3-phenylpropyl]-methylamino]pyridine-2-carboxylic acid
CID 164634556
5-Chloro-6-(4-fluorophenyl)pyridine-2-carboxylic acid
CID 46313810

Frequently Asked Questions

What is the IUPAC name of 3-chloro-6-[(3-fluorophenyl)methyl-methylamino]pyridine-2-carboxylic acid?
The IUPAC name of 3-chloro-6-[(3-fluorophenyl)methyl-methylamino]pyridine-2-carboxylic acid (CID 28822094) is 3-chloro-6-[(3-fluorophenyl)methyl-methylamino]pyridine-2-carboxylic acid.
What is the SMILES notation for 3-chloro-6-[(3-fluorophenyl)methyl-methylamino]pyridine-2-carboxylic acid?
The canonical SMILES for 3-chloro-6-[(3-fluorophenyl)methyl-methylamino]pyridine-2-carboxylic acid is CN(Cc1cccc(F)c1)c1ccc(Cl)c(C(=O)O)n1.
What is the InChIKey of 3-chloro-6-[(3-fluorophenyl)methyl-methylamino]pyridine-2-carboxylic acid?
The InChIKey is JAEWBVHDNGYEND-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClFN2O2/c1-18(8-9-3-2-4-10(16)7-9)12-6-5-11(15)13(17-12)14(19)20/h2-7H,8H2,1H3,(H,19,20).
What are the key properties of 3-chloro-6-[(3-fluorophenyl)methyl-methylamino]pyridine-2-carboxylic acid?
3-chloro-6-[(3-fluorophenyl)methyl-methylamino]pyridine-2-carboxylic acid has a molecular weight of 294.71 g/mol, XLogP of 3.21, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-6-[(3-fluorophenyl)methyl-methylamino]pyridine-2-carboxylic acid is sourced from PubChem (CID 28822094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).