2-[(2-chlorophenyl)methyl-methylamino]-3-fluoropyridine-4-carboxylic acid

C14H12ClFN2O2 — CID 105382004

IUPAC2-[(2-chlorophenyl)methyl-methylamino]-3-fluoropyridine-4-carboxylic acid
SMILESCN(Cc1ccccc1Cl)c1nccc(C(=O)O)c1F
InChIInChI=1S/C14H12ClFN2O2/c1-18(8-9-4-2-3-5-11(9)15)13-12(16)10(14(19)20)6-7-17-13/h2-7H,8H2,1H3,(H,19,20)
InChIKeyCPELPGKYUYWESI-UHFFFAOYSA-N
MW294.71 g/mol
LogP3.21
Rot. Bonds4

About 2-[(2-chlorophenyl)methyl-methylamino]-3-fluoropyridine-4-carboxylic acid

2-[(2-chlorophenyl)methyl-methylamino]-3-fluoropyridine-4-carboxylic acid (PubChem CID 105382004) has the molecular formula C14H12ClFN2O2 and a molecular weight of 294.71 g/mol. Its IUPAC name is 2-[(2-chlorophenyl)methyl-methylamino]-3-fluoropyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-[(2-chlorophenyl)methyl-methylamino]-3-fluoropyridine-4-carboxylic acid
PubChem CID105382004
Molecular FormulaC14H12ClFN2O2
Molecular Weight294.71 g/mol
Exact Mass294.06
IUPAC Name2-[(2-chlorophenyl)methyl-methylamino]-3-fluoropyridine-4-carboxylic acid
SMILESCN(Cc1ccccc1Cl)c1nccc(C(=O)O)c1F
InChIInChI=1S/C14H12ClFN2O2/c1-18(8-9-4-2-3-5-11(9)15)13-12(16)10(14(19)20)6-7-17-13/h2-7H,8H2,1H3,(H,19,20)
InChIKeyCPELPGKYUYWESI-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

3-fluoro-2-[(4-fluorophenyl)methyl-methylamino]pyridine-4-carboxylic acid
CID 105382002
2-[1-(2-chlorophenyl)ethyl-methylamino]-3-fluoropyridine-4-carboxylic acid
CID 105382293
3-fluoro-2-[2-hydroxyethyl(methyl)amino]pyridine-4-carboxylic acid
CID 105381967
[2-[(2-chlorophenyl)methyl-methylamino]-3-pyridinyl]methanol
CID 61417296
5-[(2-chlorophenyl)methyl-methylamino]pyridine-2-carboxylic acid
CID 113321608
5-amino-6-[(2-chlorophenyl)methyl-methylamino]pyridine-3-carboxylic acid
CID 81440145
2-fluoro-3-[(N-methylanilino)methyl]benzoic acid
CID 107119323
3-fluoro-2-[methyl-[3-(methylamino)propyl]amino]pyridine-4-carboxylic acid
CID 105382506
6-chloro-2-[(2-fluorophenyl)methyl-methylamino]pyridine-3-carboxylic acid
CID 63379855
3-chloro-2-[(2-fluorophenyl)methyl-methylamino]-N'-hydroxypyridine-4-carboximidamide
CID 136739336
2-[(2-chlorophenyl)methyl-methylcarbamoyl]benzoic acid
CID 43399794
2-(N-ethyl-2-fluoroanilino)-3-fluoropyridine-4-carboxylic acid
CID 105382212

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chlorophenyl)methyl-methylamino]-3-fluoropyridine-4-carboxylic acid?
The IUPAC name of 2-[(2-chlorophenyl)methyl-methylamino]-3-fluoropyridine-4-carboxylic acid (CID 105382004) is 2-[(2-chlorophenyl)methyl-methylamino]-3-fluoropyridine-4-carboxylic acid.
What is the SMILES notation for 2-[(2-chlorophenyl)methyl-methylamino]-3-fluoropyridine-4-carboxylic acid?
The canonical SMILES for 2-[(2-chlorophenyl)methyl-methylamino]-3-fluoropyridine-4-carboxylic acid is CN(Cc1ccccc1Cl)c1nccc(C(=O)O)c1F.
What is the InChIKey of 2-[(2-chlorophenyl)methyl-methylamino]-3-fluoropyridine-4-carboxylic acid?
The InChIKey is CPELPGKYUYWESI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClFN2O2/c1-18(8-9-4-2-3-5-11(9)15)13-12(16)10(14(19)20)6-7-17-13/h2-7H,8H2,1H3,(H,19,20).
What are the key properties of 2-[(2-chlorophenyl)methyl-methylamino]-3-fluoropyridine-4-carboxylic acid?
2-[(2-chlorophenyl)methyl-methylamino]-3-fluoropyridine-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 2-[(2-chlorophenyl)methyl-methylamino]-3-fluoropyridine-4-carboxylic acid is sourced from PubChem (CID 105382004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).