4-[[5-(5-chloro-2-fluorophenyl)-4-methyl-3-pyridinyl]methyl]-3-fluoropyridin-2-amine

C18H14ClF2N3 — CID 174161455

IUPAC4-[[5-(5-chloro-2-fluorophenyl)-4-methyl-3-pyridinyl]methyl]-3-fluoropyridin-2-amine
SMILESCc1c(Cc2ccnc(N)c2F)cncc1-c1cc(Cl)ccc1F
InChIInChI=1S/C18H14ClF2N3/c1-10-12(6-11-4-5-24-18(22)17(11)21)8-23-9-15(10)14-7-13(19)2-3-16(14)20/h2-5,7-9H,6H2,1H3,(H2,22,24)
InChIKeyBEYMAYRABHCOQP-UHFFFAOYSA-N
MW345.78 g/mol
LogP4.56
Rot. Bonds3

About 4-[[5-(5-chloro-2-fluorophenyl)-4-methyl-3-pyridinyl]methyl]-3-fluoropyridin-2-amine

4-[[5-(5-chloro-2-fluorophenyl)-4-methyl-3-pyridinyl]methyl]-3-fluoropyridin-2-amine (PubChem CID 174161455) has the molecular formula C18H14ClF2N3 and a molecular weight of 345.78 g/mol. Its IUPAC name is 4-[[5-(5-chloro-2-fluorophenyl)-4-methyl-3-pyridinyl]methyl]-3-fluoropyridin-2-amine.

Molecular Properties

Compound Name4-[[5-(5-chloro-2-fluorophenyl)-4-methyl-3-pyridinyl]methyl]-3-fluoropyridin-2-amine
PubChem CID174161455
Molecular FormulaC18H14ClF2N3
Molecular Weight345.78 g/mol
Exact Mass345.08
IUPAC Name4-[[5-(5-chloro-2-fluorophenyl)-4-methyl-3-pyridinyl]methyl]-3-fluoropyridin-2-amine
SMILESCc1c(Cc2ccnc(N)c2F)cncc1-c1cc(Cl)ccc1F
InChIInChI=1S/C18H14ClF2N3/c1-10-12(6-11-4-5-24-18(22)17(11)21)8-23-9-15(10)14-7-13(19)2-3-16(14)20/h2-5,7-9H,6H2,1H3,(H2,22,24)
InChIKeyBEYMAYRABHCOQP-UHFFFAOYSA-N
XLogP4.56
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.78
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[[5-(5-chloro-2-fluorophenyl)-4-methyl-3-pyridinyl]methyl]-3-fluoropyridin-2-amine?
The IUPAC name of 4-[[5-(5-chloro-2-fluorophenyl)-4-methyl-3-pyridinyl]methyl]-3-fluoropyridin-2-amine (CID 174161455) is 4-[[5-(5-chloro-2-fluorophenyl)-4-methyl-3-pyridinyl]methyl]-3-fluoropyridin-2-amine.
What is the SMILES notation for 4-[[5-(5-chloro-2-fluorophenyl)-4-methyl-3-pyridinyl]methyl]-3-fluoropyridin-2-amine?
The canonical SMILES for 4-[[5-(5-chloro-2-fluorophenyl)-4-methyl-3-pyridinyl]methyl]-3-fluoropyridin-2-amine is Cc1c(Cc2ccnc(N)c2F)cncc1-c1cc(Cl)ccc1F.
What is the InChIKey of 4-[[5-(5-chloro-2-fluorophenyl)-4-methyl-3-pyridinyl]methyl]-3-fluoropyridin-2-amine?
The InChIKey is BEYMAYRABHCOQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClF2N3/c1-10-12(6-11-4-5-24-18(22)17(11)21)8-23-9-15(10)14-7-13(19)2-3-16(14)20/h2-5,7-9H,6H2,1H3,(H2,22,24).
What are the key properties of 4-[[5-(5-chloro-2-fluorophenyl)-4-methyl-3-pyridinyl]methyl]-3-fluoropyridin-2-amine?
4-[[5-(5-chloro-2-fluorophenyl)-4-methyl-3-pyridinyl]methyl]-3-fluoropyridin-2-amine has a molecular weight of 345.78 g/mol, XLogP of 4.56, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-(5-chloro-2-fluorophenyl)-4-methyl-3-pyridinyl]methyl]-3-fluoropyridin-2-amine is sourced from PubChem (CID 174161455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).