N-[(2-chloro-1-benzofuran-3-yl)methyl]-6-fluoropyridin-3-amine

C14H10ClFN2O — CID 103934180

IUPACN-[(2-chloro-1-benzofuran-3-yl)methyl]-6-fluoropyridin-3-amine
SMILESFc1ccc(NCc2c(Cl)oc3ccccc23)cn1
InChIInChI=1S/C14H10ClFN2O/c15-14-11(10-3-1-2-4-12(10)19-14)8-17-9-5-6-13(16)18-7-9/h1-7,17H,8H2
InChIKeyDDACZVBNFAVFRQ-UHFFFAOYSA-N
MW276.70 g/mol
LogP4.23
Rot. Bonds3

About N-[(2-chloro-1-benzofuran-3-yl)methyl]-6-fluoropyridin-3-amine

N-[(2-chloro-1-benzofuran-3-yl)methyl]-6-fluoropyridin-3-amine (PubChem CID 103934180) has the molecular formula C14H10ClFN2O and a molecular weight of 276.70 g/mol. Its IUPAC name is N-[(2-chloro-1-benzofuran-3-yl)methyl]-6-fluoropyridin-3-amine.

Molecular Properties

Compound NameN-[(2-chloro-1-benzofuran-3-yl)methyl]-6-fluoropyridin-3-amine
PubChem CID103934180
Molecular FormulaC14H10ClFN2O
Molecular Weight276.70 g/mol
Exact Mass276.05
IUPAC NameN-[(2-chloro-1-benzofuran-3-yl)methyl]-6-fluoropyridin-3-amine
SMILESFc1ccc(NCc2c(Cl)oc3ccccc23)cn1
InChIInChI=1S/C14H10ClFN2O/c15-14-11(10-3-1-2-4-12(10)19-14)8-17-9-5-6-13(16)18-7-9/h1-7,17H,8H2
InChIKeyDDACZVBNFAVFRQ-UHFFFAOYSA-N
XLogP4.23
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.70
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[(2-chloro-1-benzofuran-3-yl)methylamino]phenol
CID 82760456
N-[(2-chloro-1-benzofuran-3-yl)methyl]-4-methylaniline
CID 82758767
N-[(2-chloro-1-benzofuran-3-yl)methyl]-3-fluoro-4-methoxyaniline
CID 82764445
3-chloro-N-[(2-chloro-1-benzofuran-3-yl)methyl]-2-fluoroaniline
CID 82759642
N-[(2-chloro-1-benzofuran-3-yl)methyl]-4-fluoro-2-iodoaniline
CID 82759813
1-(2-chloro-1-benzofuran-3-yl)-N-methylmethanamine
CID 82704880
N-[(2-chloro-1-benzofuran-3-yl)methyl]-2,2,2-trifluoroethanamine
CID 82757959
2-[(2-chloro-1-benzofuran-3-yl)methyl]-1,1-dimethylhydrazine
CID 83004186
2-[(2-chloro-1-benzofuran-3-yl)methylamino]-2-methylpropane-1,3-diol
CID 82759972
N-[(2-chloro-1-benzofuran-3-yl)methyl]-2,6-dimethylpyridin-3-amine
CID 82760047
N-[(2-chloro-1-benzofuran-3-yl)methyl]-3-methylbutan-2-amine
CID 82760038
N-[(2-chloro-1-benzofuran-3-yl)methyl]-2-methyl-2-methylsulfanylpropan-1-amine
CID 115777581

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-1-benzofuran-3-yl)methyl]-6-fluoropyridin-3-amine?
The IUPAC name of N-[(2-chloro-1-benzofuran-3-yl)methyl]-6-fluoropyridin-3-amine (CID 103934180) is N-[(2-chloro-1-benzofuran-3-yl)methyl]-6-fluoropyridin-3-amine.
What is the SMILES notation for N-[(2-chloro-1-benzofuran-3-yl)methyl]-6-fluoropyridin-3-amine?
The canonical SMILES for N-[(2-chloro-1-benzofuran-3-yl)methyl]-6-fluoropyridin-3-amine is Fc1ccc(NCc2c(Cl)oc3ccccc23)cn1.
What is the InChIKey of N-[(2-chloro-1-benzofuran-3-yl)methyl]-6-fluoropyridin-3-amine?
The InChIKey is DDACZVBNFAVFRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClFN2O/c15-14-11(10-3-1-2-4-12(10)19-14)8-17-9-5-6-13(16)18-7-9/h1-7,17H,8H2.
What are the key properties of N-[(2-chloro-1-benzofuran-3-yl)methyl]-6-fluoropyridin-3-amine?
N-[(2-chloro-1-benzofuran-3-yl)methyl]-6-fluoropyridin-3-amine has a molecular weight of 276.70 g/mol, XLogP of 4.23, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-1-benzofuran-3-yl)methyl]-6-fluoropyridin-3-amine is sourced from PubChem (CID 103934180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).