5-chloro-2-[(4-fluorophenyl)methyl-methylamino]pyridine-4-carboxylic acid

C14H12ClFN2O2 — CID 114919316

IUPAC5-chloro-2-[(4-fluorophenyl)methyl-methylamino]pyridine-4-carboxylic acid
SMILESCN(Cc1ccc(F)cc1)c1cc(C(=O)O)c(Cl)cn1
InChIInChI=1S/C14H12ClFN2O2/c1-18(8-9-2-4-10(16)5-3-9)13-6-11(14(19)20)12(15)7-17-13/h2-7H,8H2,1H3,(H,19,20)
InChIKeyQHRRRDSAOUTXDL-UHFFFAOYSA-N
MW294.71 g/mol
LogP3.21
Rot. Bonds4

About 5-chloro-2-[(4-fluorophenyl)methyl-methylamino]pyridine-4-carboxylic acid

5-chloro-2-[(4-fluorophenyl)methyl-methylamino]pyridine-4-carboxylic acid (PubChem CID 114919316) has the molecular formula C14H12ClFN2O2 and a molecular weight of 294.71 g/mol. Its IUPAC name is 5-chloro-2-[(4-fluorophenyl)methyl-methylamino]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name5-chloro-2-[(4-fluorophenyl)methyl-methylamino]pyridine-4-carboxylic acid
PubChem CID114919316
Molecular FormulaC14H12ClFN2O2
Molecular Weight294.71 g/mol
Exact Mass294.06
IUPAC Name5-chloro-2-[(4-fluorophenyl)methyl-methylamino]pyridine-4-carboxylic acid
SMILESCN(Cc1ccc(F)cc1)c1cc(C(=O)O)c(Cl)cn1
InChIInChI=1S/C14H12ClFN2O2/c1-18(8-9-2-4-10(16)5-3-9)13-6-11(14(19)20)12(15)7-17-13/h2-7H,8H2,1H3,(H,19,20)
InChIKeyQHRRRDSAOUTXDL-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

5-chloro-2-[methyl-[(3-methylphenyl)methyl]amino]pyridine-4-carboxylic acid
CID 114919313
5-chloro-2-[2,2-dimethylpropyl(methyl)amino]pyridine-4-carboxylic acid
CID 114919498
3-fluoro-2-[(4-fluorophenyl)methyl-methylamino]pyridine-4-carboxylic acid
CID 105382002
5-chloro-2-(4-fluorophenyl)pyridine-4-carboxylic acid
CID 46313816
5-chloro-2-[methyl-[2-oxo-2-(propylamino)ethyl]amino]pyridine-4-carboxylic acid
CID 114919353
6-chloro-N-[(4-fluorophenyl)methyl]-N-methylpyrazin-2-amine
CID 54943226
[5-chloro-2-[(3-fluorophenyl)methyl-methylamino]-4-pyridinyl]methanol
CID 114920211
5-chloro-2-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]pyridine-4-carboxylic acid
CID 114919785
4-(aminomethyl)-5-chloro-N-methyl-N-[(4-methylphenyl)methyl]pyridin-2-amine
CID 114925259
6-(aminomethyl)-5-chloro-N-[(4-fluorophenyl)methyl]-N-methylpyridin-2-amine
CID 62286054
3-amino-2-[(4-fluorophenyl)methyl-methylamino]benzoic acid
CID 115934268
2-chloro-4-[(4-fluorophenyl)methyl-methylamino]benzenecarbothioamide
CID 62948121

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-[(4-fluorophenyl)methyl-methylamino]pyridine-4-carboxylic acid?
The IUPAC name of 5-chloro-2-[(4-fluorophenyl)methyl-methylamino]pyridine-4-carboxylic acid (CID 114919316) is 5-chloro-2-[(4-fluorophenyl)methyl-methylamino]pyridine-4-carboxylic acid.
What is the SMILES notation for 5-chloro-2-[(4-fluorophenyl)methyl-methylamino]pyridine-4-carboxylic acid?
The canonical SMILES for 5-chloro-2-[(4-fluorophenyl)methyl-methylamino]pyridine-4-carboxylic acid is CN(Cc1ccc(F)cc1)c1cc(C(=O)O)c(Cl)cn1.
What is the InChIKey of 5-chloro-2-[(4-fluorophenyl)methyl-methylamino]pyridine-4-carboxylic acid?
The InChIKey is QHRRRDSAOUTXDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClFN2O2/c1-18(8-9-2-4-10(16)5-3-9)13-6-11(14(19)20)12(15)7-17-13/h2-7H,8H2,1H3,(H,19,20).
What are the key properties of 5-chloro-2-[(4-fluorophenyl)methyl-methylamino]pyridine-4-carboxylic acid?
5-chloro-2-[(4-fluorophenyl)methyl-methylamino]pyridine-4-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 5-chloro-2-[(4-fluorophenyl)methyl-methylamino]pyridine-4-carboxylic acid is sourced from PubChem (CID 114919316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).