5-amino-6-[(4-bromophenyl)methyl-methylamino]pyridine-2-carboxylic acid

C14H14BrN3O2 — CID 114405667

IUPAC5-amino-6-[(4-bromophenyl)methyl-methylamino]pyridine-2-carboxylic acid
SMILESCN(Cc1ccc(Br)cc1)c1nc(C(=O)O)ccc1N
InChIInChI=1S/C14H14BrN3O2/c1-18(8-9-2-4-10(15)5-3-9)13-11(16)6-7-12(17-13)14(19)20/h2-7H,8,16H2,1H3,(H,19,20)
InChIKeyBFCPINJYPRZRTQ-UHFFFAOYSA-N
MW336.19 g/mol
LogP2.76
Rot. Bonds4

About 5-amino-6-[(4-bromophenyl)methyl-methylamino]pyridine-2-carboxylic acid

5-amino-6-[(4-bromophenyl)methyl-methylamino]pyridine-2-carboxylic acid (PubChem CID 114405667) has the molecular formula C14H14BrN3O2 and a molecular weight of 336.19 g/mol. Its IUPAC name is 5-amino-6-[(4-bromophenyl)methyl-methylamino]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-amino-6-[(4-bromophenyl)methyl-methylamino]pyridine-2-carboxylic acid
PubChem CID114405667
Molecular FormulaC14H14BrN3O2
Molecular Weight336.19 g/mol
Exact Mass335.03
IUPAC Name5-amino-6-[(4-bromophenyl)methyl-methylamino]pyridine-2-carboxylic acid
SMILESCN(Cc1ccc(Br)cc1)c1nc(C(=O)O)ccc1N
InChIInChI=1S/C14H14BrN3O2/c1-18(8-9-2-4-10(15)5-3-9)13-11(16)6-7-12(17-13)14(19)20/h2-7H,8,16H2,1H3,(H,19,20)
InChIKeyBFCPINJYPRZRTQ-UHFFFAOYSA-N
XLogP2.76
TPSA79.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.19
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-amino-6-[benzyl(methyl)amino]pyridine-2-carboxamide
CID 114405125
5-amino-6-[methyl(1,3-thiazol-4-ylmethyl)amino]pyridine-2-carboxylic acid
CID 114406127
5-amino-6-[5-hydroxypentyl(methyl)amino]pyridine-2-carboxylic acid
CID 107203250
methyl 5-amino-6-[methyl(pyridin-4-ylmethyl)amino]pyridine-2-carboxylate
CID 114405544
5-amino-6-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]pyridine-2-carboxylic acid
CID 114406077
methyl 5-amino-6-[(5-bromothiophen-3-yl)methyl-methylamino]pyridine-2-carboxylate
CID 114405984
2-[(4-bromophenyl)methyl-methylamino]pyridine-3-carboxylic acid
CID 45423294
5-amino-6-[methyl-[2-(2-methylpropylamino)-2-oxoethyl]amino]pyridine-2-carboxylic acid
CID 114407703
2-N-benzyl-6-chloro-2-N-methylpyridine-2,3-diamine
CID 115473524
2-N-benzyl-2-N,6-dimethylpyridine-2,3-diamine
CID 79020868
5-amino-6-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]pyridine-2-carboxylic acid
CID 114406641
5-amino-6-(4-methoxy-N-methylanilino)pyridine-2-carboxylic acid
CID 114406275

Frequently Asked Questions

What is the IUPAC name of 5-amino-6-[(4-bromophenyl)methyl-methylamino]pyridine-2-carboxylic acid?
The IUPAC name of 5-amino-6-[(4-bromophenyl)methyl-methylamino]pyridine-2-carboxylic acid (CID 114405667) is 5-amino-6-[(4-bromophenyl)methyl-methylamino]pyridine-2-carboxylic acid.
What is the SMILES notation for 5-amino-6-[(4-bromophenyl)methyl-methylamino]pyridine-2-carboxylic acid?
The canonical SMILES for 5-amino-6-[(4-bromophenyl)methyl-methylamino]pyridine-2-carboxylic acid is CN(Cc1ccc(Br)cc1)c1nc(C(=O)O)ccc1N.
What is the InChIKey of 5-amino-6-[(4-bromophenyl)methyl-methylamino]pyridine-2-carboxylic acid?
The InChIKey is BFCPINJYPRZRTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrN3O2/c1-18(8-9-2-4-10(15)5-3-9)13-11(16)6-7-12(17-13)14(19)20/h2-7H,8,16H2,1H3,(H,19,20).
What are the key properties of 5-amino-6-[(4-bromophenyl)methyl-methylamino]pyridine-2-carboxylic acid?
5-amino-6-[(4-bromophenyl)methyl-methylamino]pyridine-2-carboxylic acid has a molecular weight of 336.19 g/mol, XLogP of 2.76, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-6-[(4-bromophenyl)methyl-methylamino]pyridine-2-carboxylic acid is sourced from PubChem (CID 114405667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).