cis-(1S,2R)-2-N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]cyclohexane-1,2-diamine

C12H15ClF3N3 — CID 93453945

IUPACcis-(1S,2R)-2-N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]cyclohexane-1,2-diamine
SMILESN[C@H]1CCCC[C@H]1Nc1ncc(C(F)(F)F)cc1Cl
InChIInChI=1S/C12H15ClF3N3/c13-8-5-7(12(14,15)16)6-18-11(8)19-10-4-2-1-3-9(10)17/h5-6,9-10H,1-4,17H2,(H,18,19)/t9-,10+/m0/s1
InChIKeyXJZMIMXUHYJTGO-VHSXEESVSA-N
MW293.72 g/mol
LogP3.44
Rot. Bonds2

About cis-(1S,2R)-2-N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]cyclohexane-1,2-diamine

cis-(1S,2R)-2-N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]cyclohexane-1,2-diamine (PubChem CID 93453945) has the molecular formula C12H15ClF3N3 and a molecular weight of 293.72 g/mol. Its IUPAC name is cis-(1S,2R)-2-N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]cyclohexane-1,2-diamine.

Molecular Properties

Compound Namecis-(1S,2R)-2-N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]cyclohexane-1,2-diamine
PubChem CID93453945
Molecular FormulaC12H15ClF3N3
Molecular Weight293.72 g/mol
Exact Mass293.09
IUPAC Namecis-(1S,2R)-2-N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]cyclohexane-1,2-diamine
SMILESN[C@H]1CCCC[C@H]1Nc1ncc(C(F)(F)F)cc1Cl
InChIInChI=1S/C12H15ClF3N3/c13-8-5-7(12(14,15)16)6-18-11(8)19-10-4-2-1-3-9(10)17/h5-6,9-10H,1-4,17H2,(H,18,19)/t9-,10+/m0/s1
InChIKeyXJZMIMXUHYJTGO-VHSXEESVSA-N
XLogP3.44
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.72
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-N-(2-methylcyclohexyl)-5-(trifluoromethyl)pyridin-2-amine
CID 43081784
trans-(1S,2S)-1-N-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]cyclopentane-1,2-diamine;hydrochloride
CID 118308208
trans-(1R,2R)-2-N-(5-chloro-3-fluoro-2-pyridinyl)cyclohexane-1,2-diamine
CID 102738799
3-chloro-N-(3-cyclopentylpropyl)-5-(trifluoromethyl)pyridin-2-amine
CID 106012866
3-chloro-N-(3-methylcyclobutyl)-5-(trifluoromethyl)pyridin-2-amine
CID 113248032
3-chloro-N-(1-oxothian-4-yl)-5-(trifluoromethyl)pyridin-2-amine
CID 115886614
3-chloro-N-(2-cyclohexyloxyethyl)-5-(trifluoromethyl)pyridin-2-amine
CID 61063880
3-chloro-N-(dicyclopropylmethyl)-5-(trifluoromethyl)pyridin-2-amine
CID 60712371
N'-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1-cyclopropylethane-1,2-diamine
CID 63760239
1-N-[4-(trifluoromethyl)-2-pyridinyl]cycloheptane-1,2-diamine
CID 66329078
3-chloro-N-[(3S)-1,1-dioxothiolan-3-yl]-5-(trifluoromethyl)pyridin-2-amine
CID 28548311
2-N-(2-chloro-5-fluoropyrimidin-4-yl)cyclohexane-1,2-diamine
CID 88589836

Frequently Asked Questions

What is the IUPAC name of cis-(1S,2R)-2-N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]cyclohexane-1,2-diamine?
The IUPAC name of cis-(1S,2R)-2-N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]cyclohexane-1,2-diamine (CID 93453945) is cis-(1S,2R)-2-N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]cyclohexane-1,2-diamine.
What is the SMILES notation for cis-(1S,2R)-2-N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]cyclohexane-1,2-diamine?
The canonical SMILES for cis-(1S,2R)-2-N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]cyclohexane-1,2-diamine is N[C@H]1CCCC[C@H]1Nc1ncc(C(F)(F)F)cc1Cl.
What is the InChIKey of cis-(1S,2R)-2-N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]cyclohexane-1,2-diamine?
The InChIKey is XJZMIMXUHYJTGO-VHSXEESVSA-N. The full InChI is InChI=1S/C12H15ClF3N3/c13-8-5-7(12(14,15)16)6-18-11(8)19-10-4-2-1-3-9(10)17/h5-6,9-10H,1-4,17H2,(H,18,19)/t9-,10+/m0/s1.
What are the key properties of cis-(1S,2R)-2-N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]cyclohexane-1,2-diamine?
cis-(1S,2R)-2-N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]cyclohexane-1,2-diamine has a molecular weight of 293.72 g/mol, XLogP of 3.44, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2R)-2-N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]cyclohexane-1,2-diamine is sourced from PubChem (CID 93453945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).