6-chloro-3-fluoro-N,N-bis[(4-methoxyphenyl)methyl]-4-methyl-5-(trifluoromethyl)pyridin-2-amine

C23H21ClF4N2O2 — CID 166080536

IUPAC6-chloro-3-fluoro-N,N-bis[(4-methoxyphenyl)methyl]-4-methyl-5-(trifluoromethyl)pyridin-2-amine
SMILESCOc1ccc(CN(Cc2ccc(OC)cc2)c2nc(Cl)c(C(F)(F)F)c(C)c2F)cc1
InChIInChI=1S/C23H21ClF4N2O2/c1-14-19(23(26,27)28)21(24)29-22(20(14)25)30(12-15-4-8-17(31-2)9-5-15)13-16-6-10-18(32-3)11-7-16/h4-11H,12-13H2,1-3H3
InChIKeyWEIAXAIKOAPEGS-UHFFFAOYSA-N
MW468.88 g/mol
LogP6.43
Rot. Bonds7

About 6-chloro-3-fluoro-N,N-bis[(4-methoxyphenyl)methyl]-4-methyl-5-(trifluoromethyl)pyridin-2-amine

6-chloro-3-fluoro-N,N-bis[(4-methoxyphenyl)methyl]-4-methyl-5-(trifluoromethyl)pyridin-2-amine (PubChem CID 166080536) has the molecular formula C23H21ClF4N2O2 and a molecular weight of 468.88 g/mol. Its IUPAC name is 6-chloro-3-fluoro-N,N-bis[(4-methoxyphenyl)methyl]-4-methyl-5-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound Name6-chloro-3-fluoro-N,N-bis[(4-methoxyphenyl)methyl]-4-methyl-5-(trifluoromethyl)pyridin-2-amine
PubChem CID166080536
Molecular FormulaC23H21ClF4N2O2
Molecular Weight468.88 g/mol
Exact Mass468.12
IUPAC Name6-chloro-3-fluoro-N,N-bis[(4-methoxyphenyl)methyl]-4-methyl-5-(trifluoromethyl)pyridin-2-amine
SMILESCOc1ccc(CN(Cc2ccc(OC)cc2)c2nc(Cl)c(C(F)(F)F)c(C)c2F)cc1
InChIInChI=1S/C23H21ClF4N2O2/c1-14-19(23(26,27)28)21(24)29-22(20(14)25)30(12-15-4-8-17(31-2)9-5-15)13-16-6-10-18(32-3)11-7-16/h4-11H,12-13H2,1-3H3
InChIKeyWEIAXAIKOAPEGS-UHFFFAOYSA-N
XLogP6.43
TPSA34.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.88
LogP ≤ 56.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-fluoro-N,N-bis[(4-methoxyphenyl)methyl]-4-methyl-5-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of 6-chloro-3-fluoro-N,N-bis[(4-methoxyphenyl)methyl]-4-methyl-5-(trifluoromethyl)pyridin-2-amine (CID 166080536) is 6-chloro-3-fluoro-N,N-bis[(4-methoxyphenyl)methyl]-4-methyl-5-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for 6-chloro-3-fluoro-N,N-bis[(4-methoxyphenyl)methyl]-4-methyl-5-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for 6-chloro-3-fluoro-N,N-bis[(4-methoxyphenyl)methyl]-4-methyl-5-(trifluoromethyl)pyridin-2-amine is COc1ccc(CN(Cc2ccc(OC)cc2)c2nc(Cl)c(C(F)(F)F)c(C)c2F)cc1.
What is the InChIKey of 6-chloro-3-fluoro-N,N-bis[(4-methoxyphenyl)methyl]-4-methyl-5-(trifluoromethyl)pyridin-2-amine?
The InChIKey is WEIAXAIKOAPEGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21ClF4N2O2/c1-14-19(23(26,27)28)21(24)29-22(20(14)25)30(12-15-4-8-17(31-2)9-5-15)13-16-6-10-18(32-3)11-7-16/h4-11H,12-13H2,1-3H3.
What are the key properties of 6-chloro-3-fluoro-N,N-bis[(4-methoxyphenyl)methyl]-4-methyl-5-(trifluoromethyl)pyridin-2-amine?
6-chloro-3-fluoro-N,N-bis[(4-methoxyphenyl)methyl]-4-methyl-5-(trifluoromethyl)pyridin-2-amine has a molecular weight of 468.88 g/mol, XLogP of 6.43, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-fluoro-N,N-bis[(4-methoxyphenyl)methyl]-4-methyl-5-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 166080536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).