N-[(4-chloro-3-fluorophenyl)methyl]-5-(3-fluoro-4-pyridinyl)pyridin-3-amine

C17H12ClF2N3 — CID 11659973

IUPACN-[(4-chloro-3-fluorophenyl)methyl]-5-(3-fluoro-4-pyridinyl)pyridin-3-amine
SMILESFc1cc(CNc2cncc(-c3ccncc3F)c2)ccc1Cl
InChIInChI=1S/C17H12ClF2N3/c18-15-2-1-11(5-16(15)19)7-23-13-6-12(8-22-9-13)14-3-4-21-10-17(14)20/h1-6,8-10,23H,7H2
InChIKeyCQGGCIDBPAJPHX-UHFFFAOYSA-N
MW331.75 g/mol
LogP4.69
Rot. Bonds4

About N-[(4-chloro-3-fluorophenyl)methyl]-5-(3-fluoro-4-pyridinyl)pyridin-3-amine

N-[(4-chloro-3-fluorophenyl)methyl]-5-(3-fluoro-4-pyridinyl)pyridin-3-amine (PubChem CID 11659973) has the molecular formula C17H12ClF2N3 and a molecular weight of 331.75 g/mol. Its IUPAC name is N-[(4-chloro-3-fluorophenyl)methyl]-5-(3-fluoro-4-pyridinyl)pyridin-3-amine.

Molecular Properties

Compound NameN-[(4-chloro-3-fluorophenyl)methyl]-5-(3-fluoro-4-pyridinyl)pyridin-3-amine
PubChem CID11659973
Molecular FormulaC17H12ClF2N3
Molecular Weight331.75 g/mol
Exact Mass331.07
IUPAC NameN-[(4-chloro-3-fluorophenyl)methyl]-5-(3-fluoro-4-pyridinyl)pyridin-3-amine
SMILESFc1cc(CNc2cncc(-c3ccncc3F)c2)ccc1Cl
InChIInChI=1S/C17H12ClF2N3/c18-15-2-1-11(5-16(15)19)7-23-13-6-12(8-22-9-13)14-3-4-21-10-17(14)20/h1-6,8-10,23H,7H2
InChIKeyCQGGCIDBPAJPHX-UHFFFAOYSA-N
XLogP4.69
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.75
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(4-chloro-3-fluorophenyl)methyl]-5-(3-fluoro-4-pyridinyl)pyridin-3-amine?
The IUPAC name of N-[(4-chloro-3-fluorophenyl)methyl]-5-(3-fluoro-4-pyridinyl)pyridin-3-amine (CID 11659973) is N-[(4-chloro-3-fluorophenyl)methyl]-5-(3-fluoro-4-pyridinyl)pyridin-3-amine.
What is the SMILES notation for N-[(4-chloro-3-fluorophenyl)methyl]-5-(3-fluoro-4-pyridinyl)pyridin-3-amine?
The canonical SMILES for N-[(4-chloro-3-fluorophenyl)methyl]-5-(3-fluoro-4-pyridinyl)pyridin-3-amine is Fc1cc(CNc2cncc(-c3ccncc3F)c2)ccc1Cl.
What is the InChIKey of N-[(4-chloro-3-fluorophenyl)methyl]-5-(3-fluoro-4-pyridinyl)pyridin-3-amine?
The InChIKey is CQGGCIDBPAJPHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12ClF2N3/c18-15-2-1-11(5-16(15)19)7-23-13-6-12(8-22-9-13)14-3-4-21-10-17(14)20/h1-6,8-10,23H,7H2.
What are the key properties of N-[(4-chloro-3-fluorophenyl)methyl]-5-(3-fluoro-4-pyridinyl)pyridin-3-amine?
N-[(4-chloro-3-fluorophenyl)methyl]-5-(3-fluoro-4-pyridinyl)pyridin-3-amine has a molecular weight of 331.75 g/mol, XLogP of 4.69, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chloro-3-fluorophenyl)methyl]-5-(3-fluoro-4-pyridinyl)pyridin-3-amine is sourced from PubChem (CID 11659973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).