5-chloro-N-[(4,4-difluorocyclohexyl)methyl]-6-(trifluoromethyl)pyridin-2-amine;hydrochloride

C13H15Cl2F5N2 — CID 168863917

IUPAC5-chloro-N-[(4,4-difluorocyclohexyl)methyl]-6-(trifluoromethyl)pyridin-2-amine;hydrochloride
SMILESCl.FC1(F)CCC(CNc2ccc(Cl)c(C(F)(F)F)n2)CC1
InChIInChI=1S/C13H14ClF5N2.ClH/c14-9-1-2-10(21-11(9)13(17,18)19)20-7-8-3-5-12(15,16)6-4-8;/h1-2,8H,3-7H2,(H,20,21);1H
InChIKeyYRFVDLVTAYQDLE-UHFFFAOYSA-N
MW365.17 g/mol
LogP5.41
Rot. Bonds3

About 5-chloro-N-[(4,4-difluorocyclohexyl)methyl]-6-(trifluoromethyl)pyridin-2-amine;hydrochloride

5-chloro-N-[(4,4-difluorocyclohexyl)methyl]-6-(trifluoromethyl)pyridin-2-amine;hydrochloride (PubChem CID 168863917) has the molecular formula C13H15Cl2F5N2 and a molecular weight of 365.17 g/mol. Its IUPAC name is 5-chloro-N-[(4,4-difluorocyclohexyl)methyl]-6-(trifluoromethyl)pyridin-2-amine;hydrochloride.

Molecular Properties

Compound Name5-chloro-N-[(4,4-difluorocyclohexyl)methyl]-6-(trifluoromethyl)pyridin-2-amine;hydrochloride
PubChem CID168863917
Molecular FormulaC13H15Cl2F5N2
Molecular Weight365.17 g/mol
Exact Mass364.05
IUPAC Name5-chloro-N-[(4,4-difluorocyclohexyl)methyl]-6-(trifluoromethyl)pyridin-2-amine;hydrochloride
SMILESCl.FC1(F)CCC(CNc2ccc(Cl)c(C(F)(F)F)n2)CC1
InChIInChI=1S/C13H14ClF5N2.ClH/c14-9-1-2-10(21-11(9)13(17,18)19)20-7-8-3-5-12(15,16)6-4-8;/h1-2,8H,3-7H2,(H,20,21);1H
InChIKeyYRFVDLVTAYQDLE-UHFFFAOYSA-N
XLogP5.41
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.17
LogP ≤ 55.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[(4,4-difluorocyclohexyl)methyl]-6-(trifluoromethyl)pyridin-2-amine;hydrochloride?
The IUPAC name of 5-chloro-N-[(4,4-difluorocyclohexyl)methyl]-6-(trifluoromethyl)pyridin-2-amine;hydrochloride (CID 168863917) is 5-chloro-N-[(4,4-difluorocyclohexyl)methyl]-6-(trifluoromethyl)pyridin-2-amine;hydrochloride.
What is the SMILES notation for 5-chloro-N-[(4,4-difluorocyclohexyl)methyl]-6-(trifluoromethyl)pyridin-2-amine;hydrochloride?
The canonical SMILES for 5-chloro-N-[(4,4-difluorocyclohexyl)methyl]-6-(trifluoromethyl)pyridin-2-amine;hydrochloride is Cl.FC1(F)CCC(CNc2ccc(Cl)c(C(F)(F)F)n2)CC1.
What is the InChIKey of 5-chloro-N-[(4,4-difluorocyclohexyl)methyl]-6-(trifluoromethyl)pyridin-2-amine;hydrochloride?
The InChIKey is YRFVDLVTAYQDLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClF5N2.ClH/c14-9-1-2-10(21-11(9)13(17,18)19)20-7-8-3-5-12(15,16)6-4-8;/h1-2,8H,3-7H2,(H,20,21);1H.
What are the key properties of 5-chloro-N-[(4,4-difluorocyclohexyl)methyl]-6-(trifluoromethyl)pyridin-2-amine;hydrochloride?
5-chloro-N-[(4,4-difluorocyclohexyl)methyl]-6-(trifluoromethyl)pyridin-2-amine;hydrochloride has a molecular weight of 365.17 g/mol, XLogP of 5.41, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[(4,4-difluorocyclohexyl)methyl]-6-(trifluoromethyl)pyridin-2-amine;hydrochloride is sourced from PubChem (CID 168863917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).