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

C14H12ClFN2O2 — CID 63379855

IUPAC6-chloro-2-[(2-fluorophenyl)methyl-methylamino]pyridine-3-carboxylic acid
SMILESCN(Cc1ccccc1F)c1nc(Cl)ccc1C(=O)O
InChIInChI=1S/C14H12ClFN2O2/c1-18(8-9-4-2-3-5-11(9)16)13-10(14(19)20)6-7-12(15)17-13/h2-7H,8H2,1H3,(H,19,20)
InChIKeySDMOLKDESIKAJN-UHFFFAOYSA-N
MW294.71 g/mol
LogP3.21
Rot. Bonds4

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

6-chloro-2-[(2-fluorophenyl)methyl-methylamino]pyridine-3-carboxylic acid (PubChem CID 63379855) has the molecular formula C14H12ClFN2O2 and a molecular weight of 294.71 g/mol. Its IUPAC name is 6-chloro-2-[(2-fluorophenyl)methyl-methylamino]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-chloro-2-[(2-fluorophenyl)methyl-methylamino]pyridine-3-carboxylic acid
PubChem CID63379855
Molecular FormulaC14H12ClFN2O2
Molecular Weight294.71 g/mol
Exact Mass294.06
IUPAC Name6-chloro-2-[(2-fluorophenyl)methyl-methylamino]pyridine-3-carboxylic acid
SMILESCN(Cc1ccccc1F)c1nc(Cl)ccc1C(=O)O
InChIInChI=1S/C14H12ClFN2O2/c1-18(8-9-4-2-3-5-11(9)16)13-10(14(19)20)6-7-12(15)17-13/h2-7H,8H2,1H3,(H,19,20)
InChIKeySDMOLKDESIKAJN-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

4-chloro-2-[(2-fluorophenyl)methyl-methylamino]-1,3-thiazole-5-carboxylic acid
CID 78979407
6-chloro-2-[2-hydroxyethyl(methyl)amino]pyridine-3-carboxylic acid
CID 63380049
6-chloro-2-[methyl-[(3-methylphenyl)methyl]amino]pyridine-3-carboxylic acid
CID 63379816
4-[(2-fluorophenyl)methyl-methylamino]benzoic acid
CID 39359993
2-amino-5-[(2-fluorophenyl)methyl-methylamino]benzoic acid
CID 61413060
6-chloro-2-[methyl(1,3-thiazol-4-ylmethyl)amino]pyridine-3-carboxylic acid
CID 55184898
6-chloro-2-[methyl(pentyl)amino]pyridine-3-carboxylic acid
CID 63380325
2-[(2-chlorophenyl)methyl-methylamino]-3-fluoropyridine-4-carboxylic acid
CID 105382004
N-[(2-fluorophenyl)methyl]-N-methylcarbamoyl chloride
CID 79886378
6-chloro-2-[5-hydroxypentyl(methyl)amino]pyridine-3-carboxylic acid
CID 107200362
2-[benzyl(propan-2-yl)amino]-6-chloropyridine-3-carboxylic acid
CID 63376936
(2-fluorophenyl)methyl-methylcarbamic acid
CID 115171049

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-[(2-fluorophenyl)methyl-methylamino]pyridine-3-carboxylic acid?
The IUPAC name of 6-chloro-2-[(2-fluorophenyl)methyl-methylamino]pyridine-3-carboxylic acid (CID 63379855) is 6-chloro-2-[(2-fluorophenyl)methyl-methylamino]pyridine-3-carboxylic acid.
What is the SMILES notation for 6-chloro-2-[(2-fluorophenyl)methyl-methylamino]pyridine-3-carboxylic acid?
The canonical SMILES for 6-chloro-2-[(2-fluorophenyl)methyl-methylamino]pyridine-3-carboxylic acid is CN(Cc1ccccc1F)c1nc(Cl)ccc1C(=O)O.
What is the InChIKey of 6-chloro-2-[(2-fluorophenyl)methyl-methylamino]pyridine-3-carboxylic acid?
The InChIKey is SDMOLKDESIKAJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClFN2O2/c1-18(8-9-4-2-3-5-11(9)16)13-10(14(19)20)6-7-12(15)17-13/h2-7H,8H2,1H3,(H,19,20).
What are the key properties of 6-chloro-2-[(2-fluorophenyl)methyl-methylamino]pyridine-3-carboxylic acid?
6-chloro-2-[(2-fluorophenyl)methyl-methylamino]pyridine-3-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 6-chloro-2-[(2-fluorophenyl)methyl-methylamino]pyridine-3-carboxylic acid is sourced from PubChem (CID 63379855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).