(5-chloro-6-methoxy-3-pyridinyl)-(4-fluorophenyl)methanamine

C13H12ClFN2O — CID 69243507

IUPAC(5-chloro-6-methoxy-3-pyridinyl)-(4-fluorophenyl)methanamine
SMILESCOc1ncc(C(N)c2ccc(F)cc2)cc1Cl
InChIInChI=1S/C13H12ClFN2O/c1-18-13-11(14)6-9(7-17-13)12(16)8-2-4-10(15)5-3-8/h2-7,12H,16H2,1H3
InChIKeyDPMXACQAOVVGEG-UHFFFAOYSA-N
MW266.70 g/mol
LogP2.93
Rot. Bonds3

About (5-chloro-6-methoxy-3-pyridinyl)-(4-fluorophenyl)methanamine

(5-chloro-6-methoxy-3-pyridinyl)-(4-fluorophenyl)methanamine (PubChem CID 69243507) has the molecular formula C13H12ClFN2O and a molecular weight of 266.70 g/mol. Its IUPAC name is (5-chloro-6-methoxy-3-pyridinyl)-(4-fluorophenyl)methanamine.

Molecular Properties

Compound Name(5-chloro-6-methoxy-3-pyridinyl)-(4-fluorophenyl)methanamine
PubChem CID69243507
Molecular FormulaC13H12ClFN2O
Molecular Weight266.70 g/mol
Exact Mass266.06
IUPAC Name(5-chloro-6-methoxy-3-pyridinyl)-(4-fluorophenyl)methanamine
SMILESCOc1ncc(C(N)c2ccc(F)cc2)cc1Cl
InChIInChI=1S/C13H12ClFN2O/c1-18-13-11(14)6-9(7-17-13)12(16)8-2-4-10(15)5-3-8/h2-7,12H,16H2,1H3
InChIKeyDPMXACQAOVVGEG-UHFFFAOYSA-N
XLogP2.93
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.70
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5-chloro-6-methoxy-3-pyridinyl)-(4-fluorophenyl)methanamine?
The IUPAC name of (5-chloro-6-methoxy-3-pyridinyl)-(4-fluorophenyl)methanamine (CID 69243507) is (5-chloro-6-methoxy-3-pyridinyl)-(4-fluorophenyl)methanamine.
What is the SMILES notation for (5-chloro-6-methoxy-3-pyridinyl)-(4-fluorophenyl)methanamine?
The canonical SMILES for (5-chloro-6-methoxy-3-pyridinyl)-(4-fluorophenyl)methanamine is COc1ncc(C(N)c2ccc(F)cc2)cc1Cl.
What is the InChIKey of (5-chloro-6-methoxy-3-pyridinyl)-(4-fluorophenyl)methanamine?
The InChIKey is DPMXACQAOVVGEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClFN2O/c1-18-13-11(14)6-9(7-17-13)12(16)8-2-4-10(15)5-3-8/h2-7,12H,16H2,1H3.
What are the key properties of (5-chloro-6-methoxy-3-pyridinyl)-(4-fluorophenyl)methanamine?
(5-chloro-6-methoxy-3-pyridinyl)-(4-fluorophenyl)methanamine has a molecular weight of 266.70 g/mol, XLogP of 2.93, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-6-methoxy-3-pyridinyl)-(4-fluorophenyl)methanamine is sourced from PubChem (CID 69243507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).