2-[(6-bromonaphthalen-2-yl)amino]pyridine-4-carboxylic acid

C16H11BrN2O2 — CID 81266781

IUPAC2-[(6-bromonaphthalen-2-yl)amino]pyridine-4-carboxylic acid
SMILESO=C(O)c1ccnc(Nc2ccc3cc(Br)ccc3c2)c1
InChIInChI=1S/C16H11BrN2O2/c17-13-3-1-11-8-14(4-2-10(11)7-13)19-15-9-12(16(20)21)5-6-18-15/h1-9H,(H,18,19)(H,20,21)
InChIKeyZCEUFIBSIYQUHO-UHFFFAOYSA-N
MW343.18 g/mol
LogP4.44
Rot. Bonds3

About 2-[(6-bromonaphthalen-2-yl)amino]pyridine-4-carboxylic acid

2-[(6-bromonaphthalen-2-yl)amino]pyridine-4-carboxylic acid (PubChem CID 81266781) has the molecular formula C16H11BrN2O2 and a molecular weight of 343.18 g/mol. Its IUPAC name is 2-[(6-bromonaphthalen-2-yl)amino]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-[(6-bromonaphthalen-2-yl)amino]pyridine-4-carboxylic acid
PubChem CID81266781
Molecular FormulaC16H11BrN2O2
Molecular Weight343.18 g/mol
Exact Mass342.00
IUPAC Name2-[(6-bromonaphthalen-2-yl)amino]pyridine-4-carboxylic acid
SMILESO=C(O)c1ccnc(Nc2ccc3cc(Br)ccc3c2)c1
InChIInChI=1S/C16H11BrN2O2/c17-13-3-1-11-8-14(4-2-10(11)7-13)19-15-9-12(16(20)21)5-6-18-15/h1-9H,(H,18,19)(H,20,21)
InChIKeyZCEUFIBSIYQUHO-UHFFFAOYSA-N
XLogP4.44
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.18
LogP ≤ 54.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(naphthalen-2-ylamino)pyridine-4-carboxylic acid
CID 60726061
2-(3,4-dichloroanilino)pyridine-4-carboxylic acid
CID 13082139
2-[4-bromo-3-(trifluoromethyl)anilino]pyridine-4-carboxylic acid
CID 64855140
2-[(2,5-dibromobenzoyl)amino]pyridine-4-carboxylic acid
CID 114368080
2-(4-bromo-2,6-dimethylanilino)pyridine-4-carboxylic acid
CID 65498815
6-bromo-N-(4-bromo-2-pyridinyl)naphthalene-2-carboxamide
CID 102820628
5-bromo-N-(6-bromonaphthalen-2-yl)pyridin-2-amine
CID 81260199
4-[[6-(4-bromoanilino)pyrimidin-4-yl]amino]benzoic acid
CID 113192964
3-[[6-(3-bromoanilino)pyrimidin-4-yl]amino]benzoic acid
CID 113193173
2-[(2-bromopyridine-4-carbonyl)amino]pyridine-4-carboxylic acid
CID 114037370
2-(4-butylanilino)pyridine-4-carboxylic acid
CID 43244051
2-hydrazinylpyridine-4-carboxylic acid
CID 26967246

Frequently Asked Questions

What is the IUPAC name of 2-[(6-bromonaphthalen-2-yl)amino]pyridine-4-carboxylic acid?
The IUPAC name of 2-[(6-bromonaphthalen-2-yl)amino]pyridine-4-carboxylic acid (CID 81266781) is 2-[(6-bromonaphthalen-2-yl)amino]pyridine-4-carboxylic acid.
What is the SMILES notation for 2-[(6-bromonaphthalen-2-yl)amino]pyridine-4-carboxylic acid?
The canonical SMILES for 2-[(6-bromonaphthalen-2-yl)amino]pyridine-4-carboxylic acid is O=C(O)c1ccnc(Nc2ccc3cc(Br)ccc3c2)c1.
What is the InChIKey of 2-[(6-bromonaphthalen-2-yl)amino]pyridine-4-carboxylic acid?
The InChIKey is ZCEUFIBSIYQUHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11BrN2O2/c17-13-3-1-11-8-14(4-2-10(11)7-13)19-15-9-12(16(20)21)5-6-18-15/h1-9H,(H,18,19)(H,20,21).
What are the key properties of 2-[(6-bromonaphthalen-2-yl)amino]pyridine-4-carboxylic acid?
2-[(6-bromonaphthalen-2-yl)amino]pyridine-4-carboxylic acid has a molecular weight of 343.18 g/mol, XLogP of 4.44, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-bromonaphthalen-2-yl)amino]pyridine-4-carboxylic acid is sourced from PubChem (CID 81266781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).