6-[(4-chloroanilino)methyl]pyridine-2-carboxylic acid

C13H11ClN2O2 — CID 106904394

IUPAC6-[(4-chloroanilino)methyl]pyridine-2-carboxylic acid
SMILESO=C(O)c1cccc(CNc2ccc(Cl)cc2)n1
InChIInChI=1S/C13H11ClN2O2/c14-9-4-6-10(7-5-9)15-8-11-2-1-3-12(16-11)13(17)18/h1-7,15H,8H2,(H,17,18)
InChIKeyUMRXEMGOQXKKSU-UHFFFAOYSA-N
MW262.70 g/mol
LogP3.05
Rot. Bonds4

About 6-[(4-chloroanilino)methyl]pyridine-2-carboxylic acid

6-[(4-chloroanilino)methyl]pyridine-2-carboxylic acid (PubChem CID 106904394) has the molecular formula C13H11ClN2O2 and a molecular weight of 262.70 g/mol. Its IUPAC name is 6-[(4-chloroanilino)methyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-[(4-chloroanilino)methyl]pyridine-2-carboxylic acid
PubChem CID106904394
Molecular FormulaC13H11ClN2O2
Molecular Weight262.70 g/mol
Exact Mass262.05
IUPAC Name6-[(4-chloroanilino)methyl]pyridine-2-carboxylic acid
SMILESO=C(O)c1cccc(CNc2ccc(Cl)cc2)n1
InChIInChI=1S/C13H11ClN2O2/c14-9-4-6-10(7-5-9)15-8-11-2-1-3-12(16-11)13(17)18/h1-7,15H,8H2,(H,17,18)
InChIKeyUMRXEMGOQXKKSU-UHFFFAOYSA-N
XLogP3.05
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.70
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-[[4-(dimethylamino)anilino]methyl]pyridine-2-carboxylic acid
CID 106904488
6-[(4-fluoro-3-methoxyanilino)methyl]pyridine-2-carboxylic acid
CID 106905026
6-[(5-chloro-2-cyanoanilino)methyl]pyridine-2-carboxylic acid
CID 106904725
6-[(3-propan-2-ylanilino)methyl]pyridine-2-carboxylic acid
CID 106904433
6-[(4-chlorophenoxy)methyl]pyridine-2-carboxylic acid
CID 106903207
ethane;6-(methylaminomethyl)pyridine-2-carboxylic acid
CID 166148097
6-[(4-chlorophenyl)methoxymethyl]pyridine-2-carboxylic acid
CID 106903375
6-[(2-bromoanilino)methyl]pyridine-2-carboxylic acid
CID 106904396
6-[(2,4,6-tribromoanilino)methyl]pyridine-2-carboxylic acid
CID 106904439
6-[(methylcarbamoylamino)methyl]pyridine-2-carboxylic acid
CID 84676608
6-[(2-bromo-5-chloro-4-methylanilino)methyl]pyridine-2-carboxylic acid
CID 106904956
6-[(methoxycarbonylamino)methyl]pyridine-2-carboxylic acid
CID 84677462

Frequently Asked Questions

What is the IUPAC name of 6-[(4-chloroanilino)methyl]pyridine-2-carboxylic acid?
The IUPAC name of 6-[(4-chloroanilino)methyl]pyridine-2-carboxylic acid (CID 106904394) is 6-[(4-chloroanilino)methyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 6-[(4-chloroanilino)methyl]pyridine-2-carboxylic acid?
The canonical SMILES for 6-[(4-chloroanilino)methyl]pyridine-2-carboxylic acid is O=C(O)c1cccc(CNc2ccc(Cl)cc2)n1.
What is the InChIKey of 6-[(4-chloroanilino)methyl]pyridine-2-carboxylic acid?
The InChIKey is UMRXEMGOQXKKSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClN2O2/c14-9-4-6-10(7-5-9)15-8-11-2-1-3-12(16-11)13(17)18/h1-7,15H,8H2,(H,17,18).
What are the key properties of 6-[(4-chloroanilino)methyl]pyridine-2-carboxylic acid?
6-[(4-chloroanilino)methyl]pyridine-2-carboxylic acid has a molecular weight of 262.70 g/mol, XLogP of 3.05, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-chloroanilino)methyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 106904394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).