1-[[2-chloro-4-(trifluoromethyl)phenyl]methyl]pyrrolo[2,3-b]pyridin-5-amine

C15H11ClF3N3 — CID 176884665

IUPAC1-[[2-chloro-4-(trifluoromethyl)phenyl]methyl]pyrrolo[2,3-b]pyridin-5-amine
SMILESNc1cnc2c(ccn2Cc2ccc(C(F)(F)F)cc2Cl)c1
InChIInChI=1S/C15H11ClF3N3/c16-13-6-11(15(17,18)19)2-1-10(13)8-22-4-3-9-5-12(20)7-21-14(9)22/h1-7H,8,20H2
InChIKeyLABVNGWOTGNNHA-UHFFFAOYSA-N
MW325.72 g/mol
LogP4.34
Rot. Bonds2

About 1-[[2-chloro-4-(trifluoromethyl)phenyl]methyl]pyrrolo[2,3-b]pyridin-5-amine

1-[[2-chloro-4-(trifluoromethyl)phenyl]methyl]pyrrolo[2,3-b]pyridin-5-amine (PubChem CID 176884665) has the molecular formula C15H11ClF3N3 and a molecular weight of 325.72 g/mol. Its IUPAC name is 1-[[2-chloro-4-(trifluoromethyl)phenyl]methyl]pyrrolo[2,3-b]pyridin-5-amine.

Molecular Properties

Compound Name1-[[2-chloro-4-(trifluoromethyl)phenyl]methyl]pyrrolo[2,3-b]pyridin-5-amine
PubChem CID176884665
Molecular FormulaC15H11ClF3N3
Molecular Weight325.72 g/mol
Exact Mass325.06
IUPAC Name1-[[2-chloro-4-(trifluoromethyl)phenyl]methyl]pyrrolo[2,3-b]pyridin-5-amine
SMILESNc1cnc2c(ccn2Cc2ccc(C(F)(F)F)cc2Cl)c1
InChIInChI=1S/C15H11ClF3N3/c16-13-6-11(15(17,18)19)2-1-10(13)8-22-4-3-9-5-12(20)7-21-14(9)22/h1-7H,8,20H2
InChIKeyLABVNGWOTGNNHA-UHFFFAOYSA-N
XLogP4.34
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.72
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(pyridin-4-ylmethyl)-5-(trifluoromethyl)pyrrolo[2,3-b]pyridine
CID 66907796
7-(trifluoromethyl)quinolin-3-amine
CID 22326826
1-(cyclobutylmethyl)pyrrolo[2,3-b]pyridin-5-amine
CID 137488548
6-[2-chloro-4-(trifluoromethyl)phenoxy]quinolin-3-amine
CID 14279953
1-[2-chloro-4-(trifluoromethyl)phenyl]pyrazol-3-amine
CID 102942871
propanoic acid;1-(pyridin-4-ylmethyl)-5-(trifluoromethyl)pyrrolo[2,3-b]pyridine
CID 66907795
1-phosphanylpyrrolo[2,3-b]pyridin-5-amine
CID 59593318
2-chloro-1-ethyl-4-(trifluoromethyl)benzene;ethane
CID 144611727
5-amino-2-[2-chloro-4-(trifluoromethyl)anilino]pyridine-3-carbonitrile
CID 63668446
5-bromo-1-(2,2,2-trifluoroethyl)pyrrolo[2,3-b]pyridine
CID 118508217
1-[[3,5-bis(trifluoromethyl)phenyl]methyl]pyrrolo[2,3-b]pyridine
CID 156503188
1-[2-amino-5-[(4-bromo-2-chlorophenyl)methyl]pyrimidin-4-yl]piperidin-4-one;1-[2-amino-5-[[2-chloro-4-(trifluoromethyl)phenyl]methyl]pyrimidin-4-yl]piperidin-4-one
CID 158603026

Frequently Asked Questions

What is the IUPAC name of 1-[[2-chloro-4-(trifluoromethyl)phenyl]methyl]pyrrolo[2,3-b]pyridin-5-amine?
The IUPAC name of 1-[[2-chloro-4-(trifluoromethyl)phenyl]methyl]pyrrolo[2,3-b]pyridin-5-amine (CID 176884665) is 1-[[2-chloro-4-(trifluoromethyl)phenyl]methyl]pyrrolo[2,3-b]pyridin-5-amine.
What is the SMILES notation for 1-[[2-chloro-4-(trifluoromethyl)phenyl]methyl]pyrrolo[2,3-b]pyridin-5-amine?
The canonical SMILES for 1-[[2-chloro-4-(trifluoromethyl)phenyl]methyl]pyrrolo[2,3-b]pyridin-5-amine is Nc1cnc2c(ccn2Cc2ccc(C(F)(F)F)cc2Cl)c1.
What is the InChIKey of 1-[[2-chloro-4-(trifluoromethyl)phenyl]methyl]pyrrolo[2,3-b]pyridin-5-amine?
The InChIKey is LABVNGWOTGNNHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClF3N3/c16-13-6-11(15(17,18)19)2-1-10(13)8-22-4-3-9-5-12(20)7-21-14(9)22/h1-7H,8,20H2.
What are the key properties of 1-[[2-chloro-4-(trifluoromethyl)phenyl]methyl]pyrrolo[2,3-b]pyridin-5-amine?
1-[[2-chloro-4-(trifluoromethyl)phenyl]methyl]pyrrolo[2,3-b]pyridin-5-amine has a molecular weight of 325.72 g/mol, XLogP of 4.34, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-chloro-4-(trifluoromethyl)phenyl]methyl]pyrrolo[2,3-b]pyridin-5-amine is sourced from PubChem (CID 176884665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).