1-(5-chloro-2-fluorophenyl)-N-[(5-methylpyrazin-2-yl)methyl]methanamine

C13H13ClFN3 — CID 114842312

IUPAC1-(5-chloro-2-fluorophenyl)-N-[(5-methylpyrazin-2-yl)methyl]methanamine
SMILESCc1cnc(CNCc2cc(Cl)ccc2F)cn1
InChIInChI=1S/C13H13ClFN3/c1-9-5-18-12(8-17-9)7-16-6-10-4-11(14)2-3-13(10)15/h2-5,8,16H,6-7H2,1H3
InChIKeyJKWKZRZIQVZERV-UHFFFAOYSA-N
MW265.72 g/mol
LogP2.87
Rot. Bonds4

About 1-(5-chloro-2-fluorophenyl)-N-[(5-methylpyrazin-2-yl)methyl]methanamine

1-(5-chloro-2-fluorophenyl)-N-[(5-methylpyrazin-2-yl)methyl]methanamine (PubChem CID 114842312) has the molecular formula C13H13ClFN3 and a molecular weight of 265.72 g/mol. Its IUPAC name is 1-(5-chloro-2-fluorophenyl)-N-[(5-methylpyrazin-2-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(5-chloro-2-fluorophenyl)-N-[(5-methylpyrazin-2-yl)methyl]methanamine
PubChem CID114842312
Molecular FormulaC13H13ClFN3
Molecular Weight265.72 g/mol
Exact Mass265.08
IUPAC Name1-(5-chloro-2-fluorophenyl)-N-[(5-methylpyrazin-2-yl)methyl]methanamine
SMILESCc1cnc(CNCc2cc(Cl)ccc2F)cn1
InChIInChI=1S/C13H13ClFN3/c1-9-5-18-12(8-17-9)7-16-6-10-4-11(14)2-3-13(10)15/h2-5,8,16H,6-7H2,1H3
InChIKeyJKWKZRZIQVZERV-UHFFFAOYSA-N
XLogP2.87
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.72
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2-(2-Chlorophenyl)pyridin-3-yl)methanamine
CID 44408767
6-[(E)-2-(2-chloro-6-fluorophenyl)ethenyl]-N,N-dimethylpyridin-3-amine
CID 118707597
N-[[6-(3-chloro-4-fluorophenyl)-2-pyridinyl]methyl]-N',N'-dimethylpropane-1,3-diamine
CID 137654134
N-[(E)-3-(4-chlorophenyl)prop-2-enyl]-2-(trifluoromethyl)pyridin-4-amine
CID 166628706
2-Chloro-3-phenylpyrazine
CID 824667
(2-Chloro-6-fluoro-benzyl)-pyridin-3-ylmethyl-amine
CID 834000
[(3,4-Dichlorophenyl)methyl](pyridin-2-ylmethyl)amine
CID 4719781
N-[(3-chlorophenyl)methyl]-6-methylpyrazin-2-amine
CID 49795751
2-(3-Chlorophenyl)pyrazine
CID 15594669
2-Chloro-6-(4-fluorophenyl)pyrazine
CID 54595610
4-Chloro-2-phenylpyridin-3-amine
CID 57856517
1-(2-chlorophenyl)-N-(5-fluoropyridin-3-yl)methanimine
CID 138635110

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-fluorophenyl)-N-[(5-methylpyrazin-2-yl)methyl]methanamine?
The IUPAC name of 1-(5-chloro-2-fluorophenyl)-N-[(5-methylpyrazin-2-yl)methyl]methanamine (CID 114842312) is 1-(5-chloro-2-fluorophenyl)-N-[(5-methylpyrazin-2-yl)methyl]methanamine.
What is the SMILES notation for 1-(5-chloro-2-fluorophenyl)-N-[(5-methylpyrazin-2-yl)methyl]methanamine?
The canonical SMILES for 1-(5-chloro-2-fluorophenyl)-N-[(5-methylpyrazin-2-yl)methyl]methanamine is Cc1cnc(CNCc2cc(Cl)ccc2F)cn1.
What is the InChIKey of 1-(5-chloro-2-fluorophenyl)-N-[(5-methylpyrazin-2-yl)methyl]methanamine?
The InChIKey is JKWKZRZIQVZERV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClFN3/c1-9-5-18-12(8-17-9)7-16-6-10-4-11(14)2-3-13(10)15/h2-5,8,16H,6-7H2,1H3.
What are the key properties of 1-(5-chloro-2-fluorophenyl)-N-[(5-methylpyrazin-2-yl)methyl]methanamine?
1-(5-chloro-2-fluorophenyl)-N-[(5-methylpyrazin-2-yl)methyl]methanamine has a molecular weight of 265.72 g/mol, XLogP of 2.87, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-fluorophenyl)-N-[(5-methylpyrazin-2-yl)methyl]methanamine is sourced from PubChem (CID 114842312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).