5-chloro-6-[(4-fluoro-N-methylanilino)methyl]-N-methylpyridin-2-amine

C14H15ClFN3 — CID 55127636

IUPAC5-chloro-6-[(4-fluoro-N-methylanilino)methyl]-N-methylpyridin-2-amine
SMILESCNc1ccc(Cl)c(CN(C)c2ccc(F)cc2)n1
InChIInChI=1S/C14H15ClFN3/c1-17-14-8-7-12(15)13(18-14)9-19(2)11-5-3-10(16)4-6-11/h3-8H,9H2,1-2H3,(H,17,18)
InChIKeyIWQSBEFXAYARBP-UHFFFAOYSA-N
MW279.75 g/mol
LogP3.55
Rot. Bonds4

About 5-chloro-6-[(4-fluoro-N-methylanilino)methyl]-N-methylpyridin-2-amine

5-chloro-6-[(4-fluoro-N-methylanilino)methyl]-N-methylpyridin-2-amine (PubChem CID 55127636) has the molecular formula C14H15ClFN3 and a molecular weight of 279.75 g/mol. Its IUPAC name is 5-chloro-6-[(4-fluoro-N-methylanilino)methyl]-N-methylpyridin-2-amine.

Molecular Properties

Compound Name5-chloro-6-[(4-fluoro-N-methylanilino)methyl]-N-methylpyridin-2-amine
PubChem CID55127636
Molecular FormulaC14H15ClFN3
Molecular Weight279.75 g/mol
Exact Mass279.09
IUPAC Name5-chloro-6-[(4-fluoro-N-methylanilino)methyl]-N-methylpyridin-2-amine
SMILESCNc1ccc(Cl)c(CN(C)c2ccc(F)cc2)n1
InChIInChI=1S/C14H15ClFN3/c1-17-14-8-7-12(15)13(18-14)9-19(2)11-5-3-10(16)4-6-11/h3-8H,9H2,1-2H3,(H,17,18)
InChIKeyIWQSBEFXAYARBP-UHFFFAOYSA-N
XLogP3.55
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.75
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Vorasidenib
CID 117817422
1-(6-Chloro-2-pyridinyl)-4-piperidinamine
CID 131747
N2-(4-chlorophenyl)pyridine-2,3-diamine
CID 12445422
1,3,5-Triazine-2,4-diamine, 6-(6-chloro-2-pyridinyl)-N2,N4-bis[(1S)-2,2,2-trifluoro-1-methylethyl]-
CID 117817339
AG-881;AG 881; AG881
CID 117817435
1-(6-Chloropyridin-2-yl)piperazine
CID 3024499
1-(4-Chlorophenyl)-3-(6-methylpyridin-2-yl)urea
CID 836687
1-(5-Chloropyridin-2-yl)-3-(4-fluorophenyl)urea
CID 661457
2-Chloro-6-(4-methylpiperazino)pyridine
CID 10727230
4-(4-chloro-2-fluorophenyl)-N-(4,6-dimethyl-2-pyridinyl)piperazine-1-carbothioamide
CID 53257116
4-(3-chloro-4-fluorophenyl)-N-(4,6-dimethyl-2-pyridinyl)piperazine-1-carbothioamide
CID 53257169
HU4Q3S7Pqm
CID 117817448

Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-[(4-fluoro-N-methylanilino)methyl]-N-methylpyridin-2-amine?
The IUPAC name of 5-chloro-6-[(4-fluoro-N-methylanilino)methyl]-N-methylpyridin-2-amine (CID 55127636) is 5-chloro-6-[(4-fluoro-N-methylanilino)methyl]-N-methylpyridin-2-amine.
What is the SMILES notation for 5-chloro-6-[(4-fluoro-N-methylanilino)methyl]-N-methylpyridin-2-amine?
The canonical SMILES for 5-chloro-6-[(4-fluoro-N-methylanilino)methyl]-N-methylpyridin-2-amine is CNc1ccc(Cl)c(CN(C)c2ccc(F)cc2)n1.
What is the InChIKey of 5-chloro-6-[(4-fluoro-N-methylanilino)methyl]-N-methylpyridin-2-amine?
The InChIKey is IWQSBEFXAYARBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClFN3/c1-17-14-8-7-12(15)13(18-14)9-19(2)11-5-3-10(16)4-6-11/h3-8H,9H2,1-2H3,(H,17,18).
What are the key properties of 5-chloro-6-[(4-fluoro-N-methylanilino)methyl]-N-methylpyridin-2-amine?
5-chloro-6-[(4-fluoro-N-methylanilino)methyl]-N-methylpyridin-2-amine has a molecular weight of 279.75 g/mol, XLogP of 3.55, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-[(4-fluoro-N-methylanilino)methyl]-N-methylpyridin-2-amine is sourced from PubChem (CID 55127636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).