6-chloro-5-(difluoromethyl)-N-[(4-methoxyphenyl)methyl]pyridin-2-amine

C14H13ClF2N2O — CID 146625085

IUPAC6-chloro-5-(difluoromethyl)-N-[(4-methoxyphenyl)methyl]pyridin-2-amine
SMILESCOc1ccc(CNc2ccc(C(F)F)c(Cl)n2)cc1
InChIInChI=1S/C14H13ClF2N2O/c1-20-10-4-2-9(3-5-10)8-18-12-7-6-11(14(16)17)13(15)19-12/h2-7,14H,8H2,1H3,(H,18,19)
InChIKeyRJULOJIKOKIEDO-UHFFFAOYSA-N
MW298.72 g/mol
LogP4.29
Rot. Bonds5

About 6-chloro-5-(difluoromethyl)-N-[(4-methoxyphenyl)methyl]pyridin-2-amine

6-chloro-5-(difluoromethyl)-N-[(4-methoxyphenyl)methyl]pyridin-2-amine (PubChem CID 146625085) has the molecular formula C14H13ClF2N2O and a molecular weight of 298.72 g/mol. Its IUPAC name is 6-chloro-5-(difluoromethyl)-N-[(4-methoxyphenyl)methyl]pyridin-2-amine.

Molecular Properties

Compound Name6-chloro-5-(difluoromethyl)-N-[(4-methoxyphenyl)methyl]pyridin-2-amine
PubChem CID146625085
Molecular FormulaC14H13ClF2N2O
Molecular Weight298.72 g/mol
Exact Mass298.07
IUPAC Name6-chloro-5-(difluoromethyl)-N-[(4-methoxyphenyl)methyl]pyridin-2-amine
SMILESCOc1ccc(CNc2ccc(C(F)F)c(Cl)n2)cc1
InChIInChI=1S/C14H13ClF2N2O/c1-20-10-4-2-9(3-5-10)8-18-12-7-6-11(14(16)17)13(15)19-12/h2-7,14H,8H2,1H3,(H,18,19)
InChIKeyRJULOJIKOKIEDO-UHFFFAOYSA-N
XLogP4.29
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.72
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-5-(difluoromethyl)-N-[(4-methoxyphenyl)methyl]pyridin-2-amine?
The IUPAC name of 6-chloro-5-(difluoromethyl)-N-[(4-methoxyphenyl)methyl]pyridin-2-amine (CID 146625085) is 6-chloro-5-(difluoromethyl)-N-[(4-methoxyphenyl)methyl]pyridin-2-amine.
What is the SMILES notation for 6-chloro-5-(difluoromethyl)-N-[(4-methoxyphenyl)methyl]pyridin-2-amine?
The canonical SMILES for 6-chloro-5-(difluoromethyl)-N-[(4-methoxyphenyl)methyl]pyridin-2-amine is COc1ccc(CNc2ccc(C(F)F)c(Cl)n2)cc1.
What is the InChIKey of 6-chloro-5-(difluoromethyl)-N-[(4-methoxyphenyl)methyl]pyridin-2-amine?
The InChIKey is RJULOJIKOKIEDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClF2N2O/c1-20-10-4-2-9(3-5-10)8-18-12-7-6-11(14(16)17)13(15)19-12/h2-7,14H,8H2,1H3,(H,18,19).
What are the key properties of 6-chloro-5-(difluoromethyl)-N-[(4-methoxyphenyl)methyl]pyridin-2-amine?
6-chloro-5-(difluoromethyl)-N-[(4-methoxyphenyl)methyl]pyridin-2-amine has a molecular weight of 298.72 g/mol, XLogP of 4.29, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-5-(difluoromethyl)-N-[(4-methoxyphenyl)methyl]pyridin-2-amine is sourced from PubChem (CID 146625085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).