4-amino-N-(6-fluoro-3-pyridinyl)-3-hydroxybenzamide

C12H10FN3O2 — CID 114052645

IUPAC4-amino-N-(6-fluoro-3-pyridinyl)-3-hydroxybenzamide
SMILESNc1ccc(C(=O)Nc2ccc(F)nc2)cc1O
InChIInChI=1S/C12H10FN3O2/c13-11-4-2-8(6-15-11)16-12(18)7-1-3-9(14)10(17)5-7/h1-6,17H,14H2,(H,16,18)
InChIKeyWFWFLQSBRUYMIK-UHFFFAOYSA-N
MW247.23 g/mol
LogP1.76
Rot. Bonds2

About 4-amino-N-(6-fluoro-3-pyridinyl)-3-hydroxybenzamide

4-amino-N-(6-fluoro-3-pyridinyl)-3-hydroxybenzamide (PubChem CID 114052645) has the molecular formula C12H10FN3O2 and a molecular weight of 247.23 g/mol. Its IUPAC name is 4-amino-N-(6-fluoro-3-pyridinyl)-3-hydroxybenzamide.

Molecular Properties

Compound Name4-amino-N-(6-fluoro-3-pyridinyl)-3-hydroxybenzamide
PubChem CID114052645
Molecular FormulaC12H10FN3O2
Molecular Weight247.23 g/mol
Exact Mass247.08
IUPAC Name4-amino-N-(6-fluoro-3-pyridinyl)-3-hydroxybenzamide
SMILESNc1ccc(C(=O)Nc2ccc(F)nc2)cc1O
InChIInChI=1S/C12H10FN3O2/c13-11-4-2-8(6-15-11)16-12(18)7-1-3-9(14)10(17)5-7/h1-6,17H,14H2,(H,16,18)
InChIKeyWFWFLQSBRUYMIK-UHFFFAOYSA-N
XLogP1.76
TPSA88.24 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.23
LogP ≤ 51.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

4-amino-N-(3,4-dichlorophenyl)-3-hydroxybenzamide
CID 107073884
3,5-dichloro-N-(6-fluoro-3-pyridinyl)benzamide
CID 103789803
N-(6-fluoro-3-pyridinyl)-4-(trifluoromethyl)benzamide
CID 103789776
N-(6-fluoro-3-pyridinyl)-2,6-dihydroxybenzamide
CID 103923595
5,6-difluoro-N-(6-fluoro-3-pyridinyl)pyridine-3-carboxamide
CID 12987868
4-amino-N-(3-fluoro-4-methoxyphenyl)-3-hydroxybenzamide
CID 107074051
N-[6-[5-[(3,4-dihydroxybenzoyl)amino]-2-pyridinyl]-3-pyridinyl]-3,4-dihydroxybenzamide
CID 136814357
2-amino-4-chloro-N-(6-fluoro-3-pyridinyl)benzamide
CID 114052632
5-amino-2-chloro-N-(6-fluoro-3-pyridinyl)pyridine-4-carboxamide
CID 114089633
4-amino-N-(1,3-benzothiazol-6-yl)-3-hydroxybenzamide
CID 107802439
6-fluoro-N-[6-(trifluoromethyl)-3-pyridinyl]pyridine-3-carboxamide
CID 82707407
N-(6-fluoro-3-pyridinyl)thiophene-3-carboxamide
CID 103789756

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(6-fluoro-3-pyridinyl)-3-hydroxybenzamide?
The IUPAC name of 4-amino-N-(6-fluoro-3-pyridinyl)-3-hydroxybenzamide (CID 114052645) is 4-amino-N-(6-fluoro-3-pyridinyl)-3-hydroxybenzamide.
What is the SMILES notation for 4-amino-N-(6-fluoro-3-pyridinyl)-3-hydroxybenzamide?
The canonical SMILES for 4-amino-N-(6-fluoro-3-pyridinyl)-3-hydroxybenzamide is Nc1ccc(C(=O)Nc2ccc(F)nc2)cc1O.
What is the InChIKey of 4-amino-N-(6-fluoro-3-pyridinyl)-3-hydroxybenzamide?
The InChIKey is WFWFLQSBRUYMIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10FN3O2/c13-11-4-2-8(6-15-11)16-12(18)7-1-3-9(14)10(17)5-7/h1-6,17H,14H2,(H,16,18).
What are the key properties of 4-amino-N-(6-fluoro-3-pyridinyl)-3-hydroxybenzamide?
4-amino-N-(6-fluoro-3-pyridinyl)-3-hydroxybenzamide has a molecular weight of 247.23 g/mol, XLogP of 1.76, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(6-fluoro-3-pyridinyl)-3-hydroxybenzamide is sourced from PubChem (CID 114052645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).