3-chloro-N-[(2,4-difluorophenyl)methyl]pyridin-2-amine

C12H9ClF2N2 — CID 62228513

IUPAC3-chloro-N-[(2,4-difluorophenyl)methyl]pyridin-2-amine
SMILESFc1ccc(CNc2ncccc2Cl)c(F)c1
InChIInChI=1S/C12H9ClF2N2/c13-10-2-1-5-16-12(10)17-7-8-3-4-9(14)6-11(8)15/h1-6H,7H2,(H,16,17)
InChIKeyIMNRQQSWMCMJRF-UHFFFAOYSA-N
MW254.67 g/mol
LogP3.63
Rot. Bonds3

About 3-chloro-N-[(2,4-difluorophenyl)methyl]pyridin-2-amine

3-chloro-N-[(2,4-difluorophenyl)methyl]pyridin-2-amine (PubChem CID 62228513) has the molecular formula C12H9ClF2N2 and a molecular weight of 254.67 g/mol. Its IUPAC name is 3-chloro-N-[(2,4-difluorophenyl)methyl]pyridin-2-amine.

Molecular Properties

Compound Name3-chloro-N-[(2,4-difluorophenyl)methyl]pyridin-2-amine
PubChem CID62228513
Molecular FormulaC12H9ClF2N2
Molecular Weight254.67 g/mol
Exact Mass254.04
IUPAC Name3-chloro-N-[(2,4-difluorophenyl)methyl]pyridin-2-amine
SMILESFc1ccc(CNc2ncccc2Cl)c(F)c1
InChIInChI=1S/C12H9ClF2N2/c13-10-2-1-5-16-12(10)17-7-8-3-4-9(14)6-11(8)15/h1-6H,7H2,(H,16,17)
InChIKeyIMNRQQSWMCMJRF-UHFFFAOYSA-N
XLogP3.63
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.67
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[(2,4-difluorophenyl)methyl]pyridin-2-amine?
The IUPAC name of 3-chloro-N-[(2,4-difluorophenyl)methyl]pyridin-2-amine (CID 62228513) is 3-chloro-N-[(2,4-difluorophenyl)methyl]pyridin-2-amine.
What is the SMILES notation for 3-chloro-N-[(2,4-difluorophenyl)methyl]pyridin-2-amine?
The canonical SMILES for 3-chloro-N-[(2,4-difluorophenyl)methyl]pyridin-2-amine is Fc1ccc(CNc2ncccc2Cl)c(F)c1.
What is the InChIKey of 3-chloro-N-[(2,4-difluorophenyl)methyl]pyridin-2-amine?
The InChIKey is IMNRQQSWMCMJRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClF2N2/c13-10-2-1-5-16-12(10)17-7-8-3-4-9(14)6-11(8)15/h1-6H,7H2,(H,16,17).
What are the key properties of 3-chloro-N-[(2,4-difluorophenyl)methyl]pyridin-2-amine?
3-chloro-N-[(2,4-difluorophenyl)methyl]pyridin-2-amine has a molecular weight of 254.67 g/mol, XLogP of 3.63, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[(2,4-difluorophenyl)methyl]pyridin-2-amine is sourced from PubChem (CID 62228513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).