3-chloro-N-[(R)-phenyl(pyridin-2-yl)methyl]-5-(trifluoromethyl)pyridin-2-amine

C18H13ClF3N3 — CID 25357011

IUPAC3-chloro-N-[(R)-phenyl(pyridin-2-yl)methyl]-5-(trifluoromethyl)pyridin-2-amine
SMILESFC(F)(F)c1cnc(N[C@H](c2ccccc2)c2ccccn2)c(Cl)c1
InChIInChI=1S/C18H13ClF3N3/c19-14-10-13(18(20,21)22)11-24-17(14)25-16(12-6-2-1-3-7-12)15-8-4-5-9-23-15/h1-11,16H,(H,24,25)/t16-/m1/s1
InChIKeyIDWRKHVTPSIWCO-MRXNPFEDSA-N
MW363.77 g/mol
LogP5.35
Rot. Bonds4

About 3-chloro-N-[(R)-phenyl(pyridin-2-yl)methyl]-5-(trifluoromethyl)pyridin-2-amine

3-chloro-N-[(R)-phenyl(pyridin-2-yl)methyl]-5-(trifluoromethyl)pyridin-2-amine (PubChem CID 25357011) has the molecular formula C18H13ClF3N3 and a molecular weight of 363.77 g/mol. Its IUPAC name is 3-chloro-N-[(R)-phenyl(pyridin-2-yl)methyl]-5-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound Name3-chloro-N-[(R)-phenyl(pyridin-2-yl)methyl]-5-(trifluoromethyl)pyridin-2-amine
PubChem CID25357011
Molecular FormulaC18H13ClF3N3
Molecular Weight363.77 g/mol
Exact Mass363.08
IUPAC Name3-chloro-N-[(R)-phenyl(pyridin-2-yl)methyl]-5-(trifluoromethyl)pyridin-2-amine
SMILESFC(F)(F)c1cnc(N[C@H](c2ccccc2)c2ccccn2)c(Cl)c1
InChIInChI=1S/C18H13ClF3N3/c19-14-10-13(18(20,21)22)11-24-17(14)25-16(12-6-2-1-3-7-12)15-8-4-5-9-23-15/h1-11,16H,(H,24,25)/t16-/m1/s1
InChIKeyIDWRKHVTPSIWCO-MRXNPFEDSA-N
XLogP5.35
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.77
LogP ≤ 55.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-methylphenyl)-pyridin-2-ylmethyl]-5-(trifluoromethyl)pyridin-2-amine
CID 133414877
3-chloro-N-(dicyclopropylmethyl)-5-(trifluoromethyl)pyridin-2-amine
CID 60712371
3-chloro-N-[(3-methylphenyl)-pyridin-2-ylmethyl]-5-nitropyridin-2-amine
CID 133414774
N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-pyridin-2-ylsulfanylacetamide
CID 2464434
N-but-3-yn-2-yl-3-chloro-5-(trifluoromethyl)pyridin-2-amine
CID 114382946
3-chloro-N-(3-ethylpentan-2-yl)-5-(trifluoromethyl)pyridin-2-amine
CID 63838693
3-chloro-N-(3-methylpentan-2-yl)-5-(trifluoromethyl)pyridin-2-amine
CID 63541959
3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]pentan-1-ol
CID 113240572
3-chloro-N-(1-chloro-3-methoxypropan-2-yl)-5-(trifluoromethyl)pyridin-2-amine
CID 106181945
N-benzhydryl-3-(trifluoromethyl)pyridin-2-amine
CID 71528051
N-[(3-methylphenyl)-pyridin-2-ylmethyl]-4-(trifluoromethyl)pyridin-2-amine
CID 133414669
3-chloro-N-[1-(5-chlorothiophen-2-yl)ethyl]-5-(trifluoromethyl)pyridin-2-amine
CID 63541342

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[(R)-phenyl(pyridin-2-yl)methyl]-5-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of 3-chloro-N-[(R)-phenyl(pyridin-2-yl)methyl]-5-(trifluoromethyl)pyridin-2-amine (CID 25357011) is 3-chloro-N-[(R)-phenyl(pyridin-2-yl)methyl]-5-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for 3-chloro-N-[(R)-phenyl(pyridin-2-yl)methyl]-5-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for 3-chloro-N-[(R)-phenyl(pyridin-2-yl)methyl]-5-(trifluoromethyl)pyridin-2-amine is FC(F)(F)c1cnc(N[C@H](c2ccccc2)c2ccccn2)c(Cl)c1.
What is the InChIKey of 3-chloro-N-[(R)-phenyl(pyridin-2-yl)methyl]-5-(trifluoromethyl)pyridin-2-amine?
The InChIKey is IDWRKHVTPSIWCO-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H13ClF3N3/c19-14-10-13(18(20,21)22)11-24-17(14)25-16(12-6-2-1-3-7-12)15-8-4-5-9-23-15/h1-11,16H,(H,24,25)/t16-/m1/s1.
What are the key properties of 3-chloro-N-[(R)-phenyl(pyridin-2-yl)methyl]-5-(trifluoromethyl)pyridin-2-amine?
3-chloro-N-[(R)-phenyl(pyridin-2-yl)methyl]-5-(trifluoromethyl)pyridin-2-amine has a molecular weight of 363.77 g/mol, XLogP of 5.35, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[(R)-phenyl(pyridin-2-yl)methyl]-5-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 25357011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).