N-[4-(4-amino-2-fluorophenoxy)-3-chloro-2-pyridinyl]formamide

C12H9ClFN3O2 — CID 164738458

IUPACN-[4-(4-amino-2-fluorophenoxy)-3-chloro-2-pyridinyl]formamide
SMILESNc1ccc(Oc2ccnc(NC=O)c2Cl)c(F)c1
InChIInChI=1S/C12H9ClFN3O2/c13-11-10(3-4-16-12(11)17-6-18)19-9-2-1-7(15)5-8(9)14/h1-6H,15H2,(H,16,17,18)
InChIKeyZQMWMWVPHHSQRT-UHFFFAOYSA-N
MW281.67 g/mol
LogP2.82
Rot. Bonds4

About N-[4-(4-amino-2-fluorophenoxy)-3-chloro-2-pyridinyl]formamide

N-[4-(4-amino-2-fluorophenoxy)-3-chloro-2-pyridinyl]formamide (PubChem CID 164738458) has the molecular formula C12H9ClFN3O2 and a molecular weight of 281.67 g/mol. Its IUPAC name is N-[4-(4-amino-2-fluorophenoxy)-3-chloro-2-pyridinyl]formamide.

Molecular Properties

Compound NameN-[4-(4-amino-2-fluorophenoxy)-3-chloro-2-pyridinyl]formamide
PubChem CID164738458
Molecular FormulaC12H9ClFN3O2
Molecular Weight281.67 g/mol
Exact Mass281.04
IUPAC NameN-[4-(4-amino-2-fluorophenoxy)-3-chloro-2-pyridinyl]formamide
SMILESNc1ccc(Oc2ccnc(NC=O)c2Cl)c(F)c1
InChIInChI=1S/C12H9ClFN3O2/c13-11-10(3-4-16-12(11)17-6-18)19-9-2-1-7(15)5-8(9)14/h1-6H,15H2,(H,16,17,18)
InChIKeyZQMWMWVPHHSQRT-UHFFFAOYSA-N
XLogP2.82
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.67
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-[(3-chloro-4-pyridinyl)oxy]-3-fluoroaniline
CID 79840437
4-(4-amino-2-fluorophenoxy)-3-dimethylphosphorylpyridin-2-amine
CID 171509235
5-(4-amino-2-fluorophenoxy)-4-chloro-1,3-dihydropyrrolo[2,3-b]pyridin-2-one
CID 129014364
2-(4-amino-2-fluorophenoxy)-4-chlorobenzonitrile
CID 63083303
N-[4-(4-aminophenoxy)-3-(dimethylamino)-2-pyridinyl]formamide
CID 143215939
4-(4-amino-2-fluorophenoxy)-3-phenylpyridin-2-amine
CID 169150219
4-(4-amino-2-fluorophenoxy)-N-methylpyridin-2-amine
CID 67252307
1-[4-(4-amino-2-fluorophenoxy)-1H-pyrrolo[2,3-b]pyridin-3-yl]-2,2,2-trichloroethanone
CID 21081505
6-(4-amino-2-fluorophenoxy)-5-chloro-N-cyclopropylpyrimidin-4-amine
CID 166545324
4-(6-chloroimidazo[1,2-b]pyridazin-8-yl)oxy-3-fluoroaniline
CID 166545288
3-fluoro-4-(1-methylpyrrolo[2,3-b]pyridin-4-yl)oxyaniline
CID 155679210
3-fluoro-4-(2-methylthieno[3,2-b]pyridin-7-yl)oxyaniline
CID 67471953

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-amino-2-fluorophenoxy)-3-chloro-2-pyridinyl]formamide?
The IUPAC name of N-[4-(4-amino-2-fluorophenoxy)-3-chloro-2-pyridinyl]formamide (CID 164738458) is N-[4-(4-amino-2-fluorophenoxy)-3-chloro-2-pyridinyl]formamide.
What is the SMILES notation for N-[4-(4-amino-2-fluorophenoxy)-3-chloro-2-pyridinyl]formamide?
The canonical SMILES for N-[4-(4-amino-2-fluorophenoxy)-3-chloro-2-pyridinyl]formamide is Nc1ccc(Oc2ccnc(NC=O)c2Cl)c(F)c1.
What is the InChIKey of N-[4-(4-amino-2-fluorophenoxy)-3-chloro-2-pyridinyl]formamide?
The InChIKey is ZQMWMWVPHHSQRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClFN3O2/c13-11-10(3-4-16-12(11)17-6-18)19-9-2-1-7(15)5-8(9)14/h1-6H,15H2,(H,16,17,18).
What are the key properties of N-[4-(4-amino-2-fluorophenoxy)-3-chloro-2-pyridinyl]formamide?
N-[4-(4-amino-2-fluorophenoxy)-3-chloro-2-pyridinyl]formamide has a molecular weight of 281.67 g/mol, XLogP of 2.82, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-amino-2-fluorophenoxy)-3-chloro-2-pyridinyl]formamide is sourced from PubChem (CID 164738458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).