5-bromo-N-(1-methylcyclobutyl)-4-(trifluoromethyl)pyridin-2-amine;5-bromo-4-(trifluoromethyl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridin-2-amine

C20H19Br2F9N4 — CID 159644707

IUPAC5-bromo-N-(1-methylcyclobutyl)-4-(trifluoromethyl)pyridin-2-amine;5-bromo-4-(trifluoromethyl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridin-2-amine
SMILESCC1(Nc2cc(C(F)(F)F)c(Br)cn2)CCC1.C[C@H](Nc1cc(C(F)(F)F)c(Br)cn1)C(F)(F)F
InChIInChI=1S/C11H12BrF3N2.C9H7BrF6N2/c1-10(3-2-4-10)17-9-5-7(11(13,14)15)8(12)6-16-9;1-4(8(11,12)13)18-7-2-5(9(14,15)16)6(10)3-17-7/h5-6H,2-4H2,1H3,(H,16,17);2-4H,1H3,(H,17,18)/t;4-/m.0/s1
InChIKeyMQUQGYWMBMGTMR-VWMHFEHESA-N
MW646.19 g/mol
LogP8.44
Rot. Bonds4

About 5-bromo-N-(1-methylcyclobutyl)-4-(trifluoromethyl)pyridin-2-amine;5-bromo-4-(trifluoromethyl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridin-2-amine

5-bromo-N-(1-methylcyclobutyl)-4-(trifluoromethyl)pyridin-2-amine;5-bromo-4-(trifluoromethyl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridin-2-amine (PubChem CID 159644707) has the molecular formula C20H19Br2F9N4 and a molecular weight of 646.19 g/mol. Its IUPAC name is 5-bromo-N-(1-methylcyclobutyl)-4-(trifluoromethyl)pyridin-2-amine;5-bromo-4-(trifluoromethyl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridin-2-amine.

Molecular Properties

Compound Name5-bromo-N-(1-methylcyclobutyl)-4-(trifluoromethyl)pyridin-2-amine;5-bromo-4-(trifluoromethyl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridin-2-amine
PubChem CID159644707
Molecular FormulaC20H19Br2F9N4
Molecular Weight646.19 g/mol
Exact Mass643.98
IUPAC Name5-bromo-N-(1-methylcyclobutyl)-4-(trifluoromethyl)pyridin-2-amine;5-bromo-4-(trifluoromethyl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridin-2-amine
SMILESCC1(Nc2cc(C(F)(F)F)c(Br)cn2)CCC1.C[C@H](Nc1cc(C(F)(F)F)c(Br)cn1)C(F)(F)F
InChIInChI=1S/C11H12BrF3N2.C9H7BrF6N2/c1-10(3-2-4-10)17-9-5-7(11(13,14)15)8(12)6-16-9;1-4(8(11,12)13)18-7-2-5(9(14,15)16)6(10)3-17-7/h5-6H,2-4H2,1H3,(H,16,17);2-4H,1H3,(H,17,18)/t;4-/m.0/s1
InChIKeyMQUQGYWMBMGTMR-VWMHFEHESA-N
XLogP8.44
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500646.19
LogP ≤ 58.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-bromo-N-(1-methylcyclobutyl)-4-(trifluoromethyl)pyridin-2-amine;5-bromo-4-(trifluoromethyl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridin-2-amine with MolForge

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Related Compounds

5-bromo-N-((6-(trifluoromethyl)pyridin-3-yl)methyl)pyridin-2-amine
CID 57963232
5-bromo-N-[1-(4-fluorophenyl)ethyl]pyridin-2-amine
CID 61500497
5-bromo-N-[(2,6-difluorophenyl)methyl]pyridin-2-amine
CID 90010042
N-[(1S)-1-pyridin-4-ylethyl]-5-(trifluoromethyl)pyridin-2-amine
CID 93034233
5-bromo-3-methyl-N-[(2S)-2-(4-methylpiperazin-1-yl)propyl]pyridin-2-amine
CID 97224180
N,N'-bis[4,5-bis(trifluoromethyl)pyridin-2-yl]ethane-1,2-diamine
CID 17923741
1-N,2-N-bis[5-(trifluoromethyl)pyridin-2-yl]propane-1,2-diamine
CID 20601380
N-methyl-1-[4-(trifluoromethyl)pyridin-2-yl]piperidin-4-amine
CID 20829962
N'-(5-bromo-6-pyridin-4-yl-2-pyridinyl)-1-(2-fluorophenyl)propane-1,3-diamine
CID 57081844
(3,5-Bis-trifluoromethyl-benzyl)-(5-bromopyridin-2-yl)-amine
CID 57556030
3-bromo-N-ethyl-5-(trifluoromethyl)pyridin-2-amine
CID 57617596
5-bromo-6-fluoro-N-[[4-(trifluoromethyl)pyridin-3-yl]methyl]pyridin-2-amine
CID 57963076

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(1-methylcyclobutyl)-4-(trifluoromethyl)pyridin-2-amine;5-bromo-4-(trifluoromethyl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridin-2-amine?
The IUPAC name of 5-bromo-N-(1-methylcyclobutyl)-4-(trifluoromethyl)pyridin-2-amine;5-bromo-4-(trifluoromethyl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridin-2-amine (CID 159644707) is 5-bromo-N-(1-methylcyclobutyl)-4-(trifluoromethyl)pyridin-2-amine;5-bromo-4-(trifluoromethyl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridin-2-amine.
What is the SMILES notation for 5-bromo-N-(1-methylcyclobutyl)-4-(trifluoromethyl)pyridin-2-amine;5-bromo-4-(trifluoromethyl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridin-2-amine?
The canonical SMILES for 5-bromo-N-(1-methylcyclobutyl)-4-(trifluoromethyl)pyridin-2-amine;5-bromo-4-(trifluoromethyl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridin-2-amine is CC1(Nc2cc(C(F)(F)F)c(Br)cn2)CCC1.C[C@H](Nc1cc(C(F)(F)F)c(Br)cn1)C(F)(F)F.
What is the InChIKey of 5-bromo-N-(1-methylcyclobutyl)-4-(trifluoromethyl)pyridin-2-amine;5-bromo-4-(trifluoromethyl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridin-2-amine?
The InChIKey is MQUQGYWMBMGTMR-VWMHFEHESA-N. The full InChI is InChI=1S/C11H12BrF3N2.C9H7BrF6N2/c1-10(3-2-4-10)17-9-5-7(11(13,14)15)8(12)6-16-9;1-4(8(11,12)13)18-7-2-5(9(14,15)16)6(10)3-17-7/h5-6H,2-4H2,1H3,(H,16,17);2-4H,1H3,(H,17,18)/t;4-/m.0/s1.
What are the key properties of 5-bromo-N-(1-methylcyclobutyl)-4-(trifluoromethyl)pyridin-2-amine;5-bromo-4-(trifluoromethyl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridin-2-amine?
5-bromo-N-(1-methylcyclobutyl)-4-(trifluoromethyl)pyridin-2-amine;5-bromo-4-(trifluoromethyl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridin-2-amine has a molecular weight of 646.19 g/mol, XLogP of 8.44, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(1-methylcyclobutyl)-4-(trifluoromethyl)pyridin-2-amine;5-bromo-4-(trifluoromethyl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridin-2-amine is sourced from PubChem (CID 159644707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).