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

C12H9Cl2FN2 — CID 79839987

IUPAC3-chloro-N-[(3-chloro-4-fluorophenyl)methyl]pyridin-4-amine
SMILESFc1ccc(CNc2ccncc2Cl)cc1Cl
InChIInChI=1S/C12H9Cl2FN2/c13-9-5-8(1-2-11(9)15)6-17-12-3-4-16-7-10(12)14/h1-5,7H,6H2,(H,16,17)
InChIKeyPKBCHOHGMCCRCR-UHFFFAOYSA-N
MW271.12 g/mol
LogP4.14
Rot. Bonds3

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

3-chloro-N-[(3-chloro-4-fluorophenyl)methyl]pyridin-4-amine (PubChem CID 79839987) has the molecular formula C12H9Cl2FN2 and a molecular weight of 271.12 g/mol. Its IUPAC name is 3-chloro-N-[(3-chloro-4-fluorophenyl)methyl]pyridin-4-amine.

Molecular Properties

Compound Name3-chloro-N-[(3-chloro-4-fluorophenyl)methyl]pyridin-4-amine
PubChem CID79839987
Molecular FormulaC12H9Cl2FN2
Molecular Weight271.12 g/mol
Exact Mass270.01
IUPAC Name3-chloro-N-[(3-chloro-4-fluorophenyl)methyl]pyridin-4-amine
SMILESFc1ccc(CNc2ccncc2Cl)cc1Cl
InChIInChI=1S/C12H9Cl2FN2/c13-9-5-8(1-2-11(9)15)6-17-12-3-4-16-7-10(12)14/h1-5,7H,6H2,(H,16,17)
InChIKeyPKBCHOHGMCCRCR-UHFFFAOYSA-N
XLogP4.14
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.12
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[(3-chloro-4-fluorophenyl)methyl]pyridin-4-amine?
The IUPAC name of 3-chloro-N-[(3-chloro-4-fluorophenyl)methyl]pyridin-4-amine (CID 79839987) is 3-chloro-N-[(3-chloro-4-fluorophenyl)methyl]pyridin-4-amine.
What is the SMILES notation for 3-chloro-N-[(3-chloro-4-fluorophenyl)methyl]pyridin-4-amine?
The canonical SMILES for 3-chloro-N-[(3-chloro-4-fluorophenyl)methyl]pyridin-4-amine is Fc1ccc(CNc2ccncc2Cl)cc1Cl.
What is the InChIKey of 3-chloro-N-[(3-chloro-4-fluorophenyl)methyl]pyridin-4-amine?
The InChIKey is PKBCHOHGMCCRCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9Cl2FN2/c13-9-5-8(1-2-11(9)15)6-17-12-3-4-16-7-10(12)14/h1-5,7H,6H2,(H,16,17).
What are the key properties of 3-chloro-N-[(3-chloro-4-fluorophenyl)methyl]pyridin-4-amine?
3-chloro-N-[(3-chloro-4-fluorophenyl)methyl]pyridin-4-amine has a molecular weight of 271.12 g/mol, XLogP of 4.14, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[(3-chloro-4-fluorophenyl)methyl]pyridin-4-amine is sourced from PubChem (CID 79839987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).