6-[2-[(5-bromo-2-pyridinyl)amino]-2-oxoethyl]sulfanylpyridine-3-carboxylic acid

C13H10BrN3O3S — CID 61304760

IUPAC6-[2-[(5-bromo-2-pyridinyl)amino]-2-oxoethyl]sulfanylpyridine-3-carboxylic acid
SMILESO=C(CSc1ccc(C(=O)O)cn1)Nc1ccc(Br)cn1
InChIInChI=1S/C13H10BrN3O3S/c14-9-2-3-10(15-6-9)17-11(18)7-21-12-4-1-8(5-16-12)13(19)20/h1-6H,7H2,(H,19,20)(H,15,17,18)
InChIKeyVQJYGPFIPYMMGH-UHFFFAOYSA-N
MW368.21 g/mol
LogP2.67
Rot. Bonds5

About 6-[2-[(5-bromo-2-pyridinyl)amino]-2-oxoethyl]sulfanylpyridine-3-carboxylic acid

6-[2-[(5-bromo-2-pyridinyl)amino]-2-oxoethyl]sulfanylpyridine-3-carboxylic acid (PubChem CID 61304760) has the molecular formula C13H10BrN3O3S and a molecular weight of 368.21 g/mol. Its IUPAC name is 6-[2-[(5-bromo-2-pyridinyl)amino]-2-oxoethyl]sulfanylpyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-[2-[(5-bromo-2-pyridinyl)amino]-2-oxoethyl]sulfanylpyridine-3-carboxylic acid
PubChem CID61304760
Molecular FormulaC13H10BrN3O3S
Molecular Weight368.21 g/mol
Exact Mass366.96
IUPAC Name6-[2-[(5-bromo-2-pyridinyl)amino]-2-oxoethyl]sulfanylpyridine-3-carboxylic acid
SMILESO=C(CSc1ccc(C(=O)O)cn1)Nc1ccc(Br)cn1
InChIInChI=1S/C13H10BrN3O3S/c14-9-2-3-10(15-6-9)17-11(18)7-21-12-4-1-8(5-16-12)13(19)20/h1-6H,7H2,(H,19,20)(H,15,17,18)
InChIKeyVQJYGPFIPYMMGH-UHFFFAOYSA-N
XLogP2.67
TPSA92.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.21
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-[(2-phenylsulfanylacetyl)amino]pyridine-3-carboxylic acid
CID 61319605
5-[2-[(5-bromo-2-pyridinyl)amino]-2-oxoethyl]sulfanylfuran-2-carboxylic acid
CID 63942163
6-[2-(4-fluoroanilino)-2-oxoethyl]sulfanylpyridine-3-carboxylic acid
CID 46262434
6-[(5-bromopyridine-2-carbonyl)amino]pyridine-3-carboxylic acid
CID 62958252
6-[2-(carbamoylamino)-2-oxoethyl]sulfanylpyridine-3-carboxylic acid
CID 61301472
6-[2-(3-methylanilino)-2-oxoethyl]sulfanylpyridine-3-carboxylic acid
CID 61304933
N-(5-bromo-2-pyridinyl)-2-(4-chlorophenyl)sulfanylacetamide
CID 1325893
6-[2-(butan-2-ylamino)-2-oxoethyl]sulfanylpyridine-3-carboxylic acid
CID 61299342
6-[[2-(2-methylphenyl)sulfanylacetyl]amino]pyridine-3-carboxylic acid
CID 61318371
2-[(5-bromo-2-pyridinyl)sulfanyl]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 134003648
6-[2-(5-methylhexan-2-ylamino)-2-oxoethyl]sulfanylpyridine-3-carboxylic acid
CID 61304825
3-[2-[(5-bromo-2-pyridinyl)amino]-2-oxoethyl]sulfanylbutanoic acid
CID 66138511

Frequently Asked Questions

What is the IUPAC name of 6-[2-[(5-bromo-2-pyridinyl)amino]-2-oxoethyl]sulfanylpyridine-3-carboxylic acid?
The IUPAC name of 6-[2-[(5-bromo-2-pyridinyl)amino]-2-oxoethyl]sulfanylpyridine-3-carboxylic acid (CID 61304760) is 6-[2-[(5-bromo-2-pyridinyl)amino]-2-oxoethyl]sulfanylpyridine-3-carboxylic acid.
What is the SMILES notation for 6-[2-[(5-bromo-2-pyridinyl)amino]-2-oxoethyl]sulfanylpyridine-3-carboxylic acid?
The canonical SMILES for 6-[2-[(5-bromo-2-pyridinyl)amino]-2-oxoethyl]sulfanylpyridine-3-carboxylic acid is O=C(CSc1ccc(C(=O)O)cn1)Nc1ccc(Br)cn1.
What is the InChIKey of 6-[2-[(5-bromo-2-pyridinyl)amino]-2-oxoethyl]sulfanylpyridine-3-carboxylic acid?
The InChIKey is VQJYGPFIPYMMGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrN3O3S/c14-9-2-3-10(15-6-9)17-11(18)7-21-12-4-1-8(5-16-12)13(19)20/h1-6H,7H2,(H,19,20)(H,15,17,18).
What are the key properties of 6-[2-[(5-bromo-2-pyridinyl)amino]-2-oxoethyl]sulfanylpyridine-3-carboxylic acid?
6-[2-[(5-bromo-2-pyridinyl)amino]-2-oxoethyl]sulfanylpyridine-3-carboxylic acid has a molecular weight of 368.21 g/mol, XLogP of 2.67, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-[(5-bromo-2-pyridinyl)amino]-2-oxoethyl]sulfanylpyridine-3-carboxylic acid is sourced from PubChem (CID 61304760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).