6-[(2-bromo-5-chloro-4-methylanilino)methyl]pyridine-2-carboxylic acid

C14H12BrClN2O2 — CID 106904956

IUPAC6-[(2-bromo-5-chloro-4-methylanilino)methyl]pyridine-2-carboxylic acid
SMILESCc1cc(Br)c(NCc2cccc(C(=O)O)n2)cc1Cl
InChIInChI=1S/C14H12BrClN2O2/c1-8-5-10(15)13(6-11(8)16)17-7-9-3-2-4-12(18-9)14(19)20/h2-6,17H,7H2,1H3,(H,19,20)
InChIKeyVRHBMUQFPXVHNJ-UHFFFAOYSA-N
MW355.62 g/mol
LogP4.12
Rot. Bonds4

About 6-[(2-bromo-5-chloro-4-methylanilino)methyl]pyridine-2-carboxylic acid

6-[(2-bromo-5-chloro-4-methylanilino)methyl]pyridine-2-carboxylic acid (PubChem CID 106904956) has the molecular formula C14H12BrClN2O2 and a molecular weight of 355.62 g/mol. Its IUPAC name is 6-[(2-bromo-5-chloro-4-methylanilino)methyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-[(2-bromo-5-chloro-4-methylanilino)methyl]pyridine-2-carboxylic acid
PubChem CID106904956
Molecular FormulaC14H12BrClN2O2
Molecular Weight355.62 g/mol
Exact Mass353.98
IUPAC Name6-[(2-bromo-5-chloro-4-methylanilino)methyl]pyridine-2-carboxylic acid
SMILESCc1cc(Br)c(NCc2cccc(C(=O)O)n2)cc1Cl
InChIInChI=1S/C14H12BrClN2O2/c1-8-5-10(15)13(6-11(8)16)17-7-9-3-2-4-12(18-9)14(19)20/h2-6,17H,7H2,1H3,(H,19,20)
InChIKeyVRHBMUQFPXVHNJ-UHFFFAOYSA-N
XLogP4.12
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.62
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-[(2,5-dibromoanilino)methyl]pyridine-2-carboxylic acid
CID 106904582
6-[(2,4-dibromoanilino)methyl]pyridine-2-carboxylic acid
CID 106904620
6-[(2-bromoanilino)methyl]pyridine-2-carboxylic acid
CID 106904396
6-[(2,4,6-tribromoanilino)methyl]pyridine-2-carboxylic acid
CID 106904439
6-[(4-chloroanilino)methyl]pyridine-2-carboxylic acid
CID 106904394
6-[(5-chloro-2-cyanoanilino)methyl]pyridine-2-carboxylic acid
CID 106904725
2-bromo-5-chloro-N-[(2,3-dimethylphenyl)methyl]-4-methylaniline
CID 104723045
6-[(2,4-dimethoxyanilino)methyl]pyridine-2-carboxylic acid
CID 106904347
2-bromo-5-chloro-N-[(2-chlorophenyl)methyl]-4-methylaniline
CID 104722481
N-(2-bromo-5-chloro-4-methylphenyl)pyridine-2-carboxamide
CID 113445582
3-(2-bromo-5-chloro-4-methylanilino)-3-oxopropanoic acid
CID 104725181
2-bromo-N-[(3-bromo-4-fluorophenyl)methyl]-5-chloro-4-methylaniline
CID 104722568

Frequently Asked Questions

What is the IUPAC name of 6-[(2-bromo-5-chloro-4-methylanilino)methyl]pyridine-2-carboxylic acid?
The IUPAC name of 6-[(2-bromo-5-chloro-4-methylanilino)methyl]pyridine-2-carboxylic acid (CID 106904956) is 6-[(2-bromo-5-chloro-4-methylanilino)methyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 6-[(2-bromo-5-chloro-4-methylanilino)methyl]pyridine-2-carboxylic acid?
The canonical SMILES for 6-[(2-bromo-5-chloro-4-methylanilino)methyl]pyridine-2-carboxylic acid is Cc1cc(Br)c(NCc2cccc(C(=O)O)n2)cc1Cl.
What is the InChIKey of 6-[(2-bromo-5-chloro-4-methylanilino)methyl]pyridine-2-carboxylic acid?
The InChIKey is VRHBMUQFPXVHNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrClN2O2/c1-8-5-10(15)13(6-11(8)16)17-7-9-3-2-4-12(18-9)14(19)20/h2-6,17H,7H2,1H3,(H,19,20).
What are the key properties of 6-[(2-bromo-5-chloro-4-methylanilino)methyl]pyridine-2-carboxylic acid?
6-[(2-bromo-5-chloro-4-methylanilino)methyl]pyridine-2-carboxylic acid has a molecular weight of 355.62 g/mol, XLogP of 4.12, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-bromo-5-chloro-4-methylanilino)methyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 106904956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).