[4-chloro-2-(trifluoromethoxy)-3-pyridinyl]methanamine

C7H6ClF3N2O — CID 130089738

IUPAC[4-chloro-2-(trifluoromethoxy)-3-pyridinyl]methanamine
SMILESNCc1c(Cl)ccnc1OC(F)(F)F
InChIInChI=1S/C7H6ClF3N2O/c8-5-1-2-13-6(4(5)3-12)14-7(9,10)11/h1-2H,3,12H2
InChIKeyZYZCSUDEXQRMMG-UHFFFAOYSA-N
MW226.58 g/mol
LogP2.09
Rot. Bonds2

About [4-chloro-2-(trifluoromethoxy)-3-pyridinyl]methanamine

[4-chloro-2-(trifluoromethoxy)-3-pyridinyl]methanamine (PubChem CID 130089738) has the molecular formula C7H6ClF3N2O and a molecular weight of 226.58 g/mol. Its IUPAC name is [4-chloro-2-(trifluoromethoxy)-3-pyridinyl]methanamine.

Molecular Properties

Compound Name[4-chloro-2-(trifluoromethoxy)-3-pyridinyl]methanamine
PubChem CID130089738
Molecular FormulaC7H6ClF3N2O
Molecular Weight226.58 g/mol
Exact Mass226.01
IUPAC Name[4-chloro-2-(trifluoromethoxy)-3-pyridinyl]methanamine
SMILESNCc1c(Cl)ccnc1OC(F)(F)F
InChIInChI=1S/C7H6ClF3N2O/c8-5-1-2-13-6(4(5)3-12)14-7(9,10)11/h1-2H,3,12H2
InChIKeyZYZCSUDEXQRMMG-UHFFFAOYSA-N
XLogP2.09
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.58
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(aminomethyl)-5-chloro-6-(trifluoromethoxy)pyridin-3-amine
CID 133085758
4-chloro-2-(trifluoromethoxy)pyridine-3-sulfonyl chloride
CID 118817072
[6-chloro-2-(trifluoromethoxy)-3-pyridinyl]methanamine
CID 130089749
[3-chloro-2-[4-(trifluoromethoxy)phenoxy]-4-pyridinyl]methanamine
CID 107056201
3-bromo-2-(trifluoromethoxy)pyridin-4-amine
CID 130088966
[4-iodo-2-(trifluoromethoxy)-3-pyridinyl]methanol
CID 130092556
[2-iodo-4-(trifluoromethoxy)-3-pyridinyl]methanamine
CID 130092403
[4-methyl-2-(trifluoromethoxy)-3-pyridinyl]methanol
CID 130093342
[4-iodo-5-methyl-2-(trifluoromethoxy)-3-pyridinyl]methanamine
CID 130112707
[2-chloro-6-[4-(trifluoromethoxy)phenyl]phenyl]methanamine
CID 134631491
4-chloro-2-(chloromethyl)-3-(trifluoromethoxy)pyridine
CID 130089786
3,4-dichloro-2-(fluoromethoxy)pyridine
CID 67376362

Frequently Asked Questions

What is the IUPAC name of [4-chloro-2-(trifluoromethoxy)-3-pyridinyl]methanamine?
The IUPAC name of [4-chloro-2-(trifluoromethoxy)-3-pyridinyl]methanamine (CID 130089738) is [4-chloro-2-(trifluoromethoxy)-3-pyridinyl]methanamine.
What is the SMILES notation for [4-chloro-2-(trifluoromethoxy)-3-pyridinyl]methanamine?
The canonical SMILES for [4-chloro-2-(trifluoromethoxy)-3-pyridinyl]methanamine is NCc1c(Cl)ccnc1OC(F)(F)F.
What is the InChIKey of [4-chloro-2-(trifluoromethoxy)-3-pyridinyl]methanamine?
The InChIKey is ZYZCSUDEXQRMMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6ClF3N2O/c8-5-1-2-13-6(4(5)3-12)14-7(9,10)11/h1-2H,3,12H2.
What are the key properties of [4-chloro-2-(trifluoromethoxy)-3-pyridinyl]methanamine?
[4-chloro-2-(trifluoromethoxy)-3-pyridinyl]methanamine has a molecular weight of 226.58 g/mol, XLogP of 2.09, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-chloro-2-(trifluoromethoxy)-3-pyridinyl]methanamine is sourced from PubChem (CID 130089738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).