(5-chloro-1-benzofuran-2-yl)-(3-chloro-4-pyridinyl)methanamine

C14H10Cl2N2O — CID 105185666

IUPAC(5-chloro-1-benzofuran-2-yl)-(3-chloro-4-pyridinyl)methanamine
SMILESNC(c1cc2cc(Cl)ccc2o1)c1ccncc1Cl
InChIInChI=1S/C14H10Cl2N2O/c15-9-1-2-12-8(5-9)6-13(19-12)14(17)10-3-4-18-7-11(10)16/h1-7,14H,17H2
InChIKeyDXDJNTOPWXASTI-UHFFFAOYSA-N
MW293.15 g/mol
LogP4.18
Rot. Bonds2

About (5-chloro-1-benzofuran-2-yl)-(3-chloro-4-pyridinyl)methanamine

(5-chloro-1-benzofuran-2-yl)-(3-chloro-4-pyridinyl)methanamine (PubChem CID 105185666) has the molecular formula C14H10Cl2N2O and a molecular weight of 293.15 g/mol. Its IUPAC name is (5-chloro-1-benzofuran-2-yl)-(3-chloro-4-pyridinyl)methanamine.

Molecular Properties

Compound Name(5-chloro-1-benzofuran-2-yl)-(3-chloro-4-pyridinyl)methanamine
PubChem CID105185666
Molecular FormulaC14H10Cl2N2O
Molecular Weight293.15 g/mol
Exact Mass292.02
IUPAC Name(5-chloro-1-benzofuran-2-yl)-(3-chloro-4-pyridinyl)methanamine
SMILESNC(c1cc2cc(Cl)ccc2o1)c1ccncc1Cl
InChIInChI=1S/C14H10Cl2N2O/c15-9-1-2-12-8(5-9)6-13(19-12)14(17)10-3-4-18-7-11(10)16/h1-7,14H,17H2
InChIKeyDXDJNTOPWXASTI-UHFFFAOYSA-N
XLogP4.18
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.15
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (5-chloro-1-benzofuran-2-yl)-(3-chloro-4-pyridinyl)methanamine with MolForge

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Related Compounds

(5-chloro-1-benzofuran-2-yl)-(3-fluoro-4-pyridinyl)methanol
CID 114727131
(2,4-dichlorophenyl)-(3-fluoro-4-pyridinyl)methanamine
CID 105038151
(5-chloro-1-benzofuran-2-yl)-(2,4-difluoro-5-methylphenyl)methanamine
CID 105045726
1-(3-chloro-4-pyridinyl)-1-(5-fluoro-1-benzofuran-2-yl)-N-methylmethanamine
CID 105185873
(5-chloro-1-benzofuran-2-yl)-(furan-2-yl)methanamine
CID 114728388
(5-chloro-2-methylphenyl)-(5-fluoro-1-benzofuran-2-yl)methanamine
CID 105046147
(5-chloro-1-benzofuran-2-yl)-(5-chlorothiophen-3-yl)methanamine
CID 114082945
(1R)-1-(5-chloro-1-benzofuran-2-yl)-N-[(1R)-1-pyrazin-2-ylethyl]ethanamine
CID 97101491
[(5-chloro-1-benzofuran-2-yl)-(3,5-dichloro-2-pyridinyl)methyl]hydrazine
CID 105248605
2-(1-bromoethyl)-5-chloro-1-benzofuran
CID 70533490
5-chloro-2-[(5-chloro-1-benzofuran-2-yl)-hydrazinylmethyl]aniline
CID 105224051
1-[(R)-(5-chloro-1-benzofuran-2-yl)-(2-chlorophenyl)methyl]imidazole
CID 76961172

Frequently Asked Questions

What is the IUPAC name of (5-chloro-1-benzofuran-2-yl)-(3-chloro-4-pyridinyl)methanamine?
The IUPAC name of (5-chloro-1-benzofuran-2-yl)-(3-chloro-4-pyridinyl)methanamine (CID 105185666) is (5-chloro-1-benzofuran-2-yl)-(3-chloro-4-pyridinyl)methanamine.
What is the SMILES notation for (5-chloro-1-benzofuran-2-yl)-(3-chloro-4-pyridinyl)methanamine?
The canonical SMILES for (5-chloro-1-benzofuran-2-yl)-(3-chloro-4-pyridinyl)methanamine is NC(c1cc2cc(Cl)ccc2o1)c1ccncc1Cl.
What is the InChIKey of (5-chloro-1-benzofuran-2-yl)-(3-chloro-4-pyridinyl)methanamine?
The InChIKey is DXDJNTOPWXASTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Cl2N2O/c15-9-1-2-12-8(5-9)6-13(19-12)14(17)10-3-4-18-7-11(10)16/h1-7,14H,17H2.
What are the key properties of (5-chloro-1-benzofuran-2-yl)-(3-chloro-4-pyridinyl)methanamine?
(5-chloro-1-benzofuran-2-yl)-(3-chloro-4-pyridinyl)methanamine has a molecular weight of 293.15 g/mol, XLogP of 4.18, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-1-benzofuran-2-yl)-(3-chloro-4-pyridinyl)methanamine is sourced from PubChem (CID 105185666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).