N-(2-amino-4-hydroxyphenyl)-5-fluoropyridine-3-carboxamide

C12H10FN3O2 — CID 107697741

IUPACN-(2-amino-4-hydroxyphenyl)-5-fluoropyridine-3-carboxamide
SMILESNc1cc(O)ccc1NC(=O)c1cncc(F)c1
InChIInChI=1S/C12H10FN3O2/c13-8-3-7(5-15-6-8)12(18)16-11-2-1-9(17)4-10(11)14/h1-6,17H,14H2,(H,16,18)
InChIKeyCZDLTIHPFPWMCA-UHFFFAOYSA-N
MW247.23 g/mol
LogP1.76
Rot. Bonds2

About N-(2-amino-4-hydroxyphenyl)-5-fluoropyridine-3-carboxamide

N-(2-amino-4-hydroxyphenyl)-5-fluoropyridine-3-carboxamide (PubChem CID 107697741) has the molecular formula C12H10FN3O2 and a molecular weight of 247.23 g/mol. Its IUPAC name is N-(2-amino-4-hydroxyphenyl)-5-fluoropyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2-amino-4-hydroxyphenyl)-5-fluoropyridine-3-carboxamide
PubChem CID107697741
Molecular FormulaC12H10FN3O2
Molecular Weight247.23 g/mol
Exact Mass247.08
IUPAC NameN-(2-amino-4-hydroxyphenyl)-5-fluoropyridine-3-carboxamide
SMILESNc1cc(O)ccc1NC(=O)c1cncc(F)c1
InChIInChI=1S/C12H10FN3O2/c13-8-3-7(5-15-6-8)12(18)16-11-2-1-9(17)4-10(11)14/h1-6,17H,14H2,(H,16,18)
InChIKeyCZDLTIHPFPWMCA-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': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

N-(4-Methoxy-2-nitrophenyl)nicotinamide
CID 2843300
(E)-2-cyano-N-(2-fluoro-4-hydroxyphenyl)-3-(3-pyridinyl)-2-propenamide
CID 5919042
N11-Ethyl-8-hydroxy-N6-methyl-6,11-dihydro-5H-pyrido(2,3-b)(1,5)benzodiazepin-5-one
CID 453277
(E)-3-(4-hydroxyanilino)-1-pyridin-3-ylbut-2-en-1-one
CID 5405848
N-[3-(trifluoromethoxy)phenyl]pyridine-3-carboxamide
CID 738205
2-N,5-N-bis(4-hydroxyphenyl)pyridine-2,5-dicarboxamide
CID 44426861
Nicotinamide, N-(m-difluoromethoxyphenyl)-, hydrochloride
CID 116243
[4-(Pyridine-3-carbonylamino)phenyl] sulfamate
CID 156016175
6-Fluoro-n-(3-methoxyphenyl)nicotinamide
CID 57553397
N-(3-hydroxyphenyl)pyridine-3-carboxamide
CID 677062
Pyridine-3-carboxamide, N-(4-hydroxyphenyl)-
CID 571860
N-(2-hydroxyphenyl)pyridine-3-carboxamide
CID 5153532

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-4-hydroxyphenyl)-5-fluoropyridine-3-carboxamide?
The IUPAC name of N-(2-amino-4-hydroxyphenyl)-5-fluoropyridine-3-carboxamide (CID 107697741) is N-(2-amino-4-hydroxyphenyl)-5-fluoropyridine-3-carboxamide.
What is the SMILES notation for N-(2-amino-4-hydroxyphenyl)-5-fluoropyridine-3-carboxamide?
The canonical SMILES for N-(2-amino-4-hydroxyphenyl)-5-fluoropyridine-3-carboxamide is Nc1cc(O)ccc1NC(=O)c1cncc(F)c1.
What is the InChIKey of N-(2-amino-4-hydroxyphenyl)-5-fluoropyridine-3-carboxamide?
The InChIKey is CZDLTIHPFPWMCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10FN3O2/c13-8-3-7(5-15-6-8)12(18)16-11-2-1-9(17)4-10(11)14/h1-6,17H,14H2,(H,16,18).
What are the key properties of N-(2-amino-4-hydroxyphenyl)-5-fluoropyridine-3-carboxamide?
N-(2-amino-4-hydroxyphenyl)-5-fluoropyridine-3-carboxamide 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 N-(2-amino-4-hydroxyphenyl)-5-fluoropyridine-3-carboxamide is sourced from PubChem (CID 107697741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).