2-chloro-N-[(3-fluoro-4-methoxyphenyl)methyl]-4-methylpyridin-3-amine

C14H14ClFN2O — CID 65482959

IUPAC2-chloro-N-[(3-fluoro-4-methoxyphenyl)methyl]-4-methylpyridin-3-amine
SMILESCOc1ccc(CNc2c(C)ccnc2Cl)cc1F
InChIInChI=1S/C14H14ClFN2O/c1-9-5-6-17-14(15)13(9)18-8-10-3-4-12(19-2)11(16)7-10/h3-7,18H,8H2,1-2H3
InChIKeyPNWGRWMXNVYAGB-UHFFFAOYSA-N
MW280.73 g/mol
LogP3.80
Rot. Bonds4

About 2-chloro-N-[(3-fluoro-4-methoxyphenyl)methyl]-4-methylpyridin-3-amine

2-chloro-N-[(3-fluoro-4-methoxyphenyl)methyl]-4-methylpyridin-3-amine (PubChem CID 65482959) has the molecular formula C14H14ClFN2O and a molecular weight of 280.73 g/mol. Its IUPAC name is 2-chloro-N-[(3-fluoro-4-methoxyphenyl)methyl]-4-methylpyridin-3-amine.

Molecular Properties

Compound Name2-chloro-N-[(3-fluoro-4-methoxyphenyl)methyl]-4-methylpyridin-3-amine
PubChem CID65482959
Molecular FormulaC14H14ClFN2O
Molecular Weight280.73 g/mol
Exact Mass280.08
IUPAC Name2-chloro-N-[(3-fluoro-4-methoxyphenyl)methyl]-4-methylpyridin-3-amine
SMILESCOc1ccc(CNc2c(C)ccnc2Cl)cc1F
InChIInChI=1S/C14H14ClFN2O/c1-9-5-6-17-14(15)13(9)18-8-10-3-4-12(19-2)11(16)7-10/h3-7,18H,8H2,1-2H3
InChIKeyPNWGRWMXNVYAGB-UHFFFAOYSA-N
XLogP3.80
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.73
LogP ≤ 53.80
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 2-chloro-N-[(3-fluoro-4-methoxyphenyl)methyl]-4-methylpyridin-3-amine?
The IUPAC name of 2-chloro-N-[(3-fluoro-4-methoxyphenyl)methyl]-4-methylpyridin-3-amine (CID 65482959) is 2-chloro-N-[(3-fluoro-4-methoxyphenyl)methyl]-4-methylpyridin-3-amine.
What is the SMILES notation for 2-chloro-N-[(3-fluoro-4-methoxyphenyl)methyl]-4-methylpyridin-3-amine?
The canonical SMILES for 2-chloro-N-[(3-fluoro-4-methoxyphenyl)methyl]-4-methylpyridin-3-amine is COc1ccc(CNc2c(C)ccnc2Cl)cc1F.
What is the InChIKey of 2-chloro-N-[(3-fluoro-4-methoxyphenyl)methyl]-4-methylpyridin-3-amine?
The InChIKey is PNWGRWMXNVYAGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClFN2O/c1-9-5-6-17-14(15)13(9)18-8-10-3-4-12(19-2)11(16)7-10/h3-7,18H,8H2,1-2H3.
What are the key properties of 2-chloro-N-[(3-fluoro-4-methoxyphenyl)methyl]-4-methylpyridin-3-amine?
2-chloro-N-[(3-fluoro-4-methoxyphenyl)methyl]-4-methylpyridin-3-amine has a molecular weight of 280.73 g/mol, XLogP of 3.80, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(3-fluoro-4-methoxyphenyl)methyl]-4-methylpyridin-3-amine is sourced from PubChem (CID 65482959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).