3-[(3-chloro-4-pyridinyl)amino]-1,1,1-trifluoropropan-2-ol

C8H8ClF3N2O — CID 103736429

IUPAC3-[(3-chloro-4-pyridinyl)amino]-1,1,1-trifluoropropan-2-ol
SMILESOC(CNc1ccncc1Cl)C(F)(F)F
InChIInChI=1S/C8H8ClF3N2O/c9-5-3-13-2-1-6(5)14-4-7(15)8(10,11)12/h1-3,7,15H,4H2,(H,13,14)
InChIKeyPBZIFGAFUKBISB-UHFFFAOYSA-N
MW240.61 g/mol
LogP2.07
Rot. Bonds3

About 3-[(3-chloro-4-pyridinyl)amino]-1,1,1-trifluoropropan-2-ol

3-[(3-chloro-4-pyridinyl)amino]-1,1,1-trifluoropropan-2-ol (PubChem CID 103736429) has the molecular formula C8H8ClF3N2O and a molecular weight of 240.61 g/mol. Its IUPAC name is 3-[(3-chloro-4-pyridinyl)amino]-1,1,1-trifluoropropan-2-ol.

Molecular Properties

Compound Name3-[(3-chloro-4-pyridinyl)amino]-1,1,1-trifluoropropan-2-ol
PubChem CID103736429
Molecular FormulaC8H8ClF3N2O
Molecular Weight240.61 g/mol
Exact Mass240.03
IUPAC Name3-[(3-chloro-4-pyridinyl)amino]-1,1,1-trifluoropropan-2-ol
SMILESOC(CNc1ccncc1Cl)C(F)(F)F
InChIInChI=1S/C8H8ClF3N2O/c9-5-3-13-2-1-6(5)14-4-7(15)8(10,11)12/h1-3,7,15H,4H2,(H,13,14)
InChIKeyPBZIFGAFUKBISB-UHFFFAOYSA-N
XLogP2.07
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.61
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-N-ethylpyridin-4-amine
CID 47002920
2-(2-Chloropyridin-4-ylamino)ethanol
CID 89246623
3-[4-(3,5-Dichloro-4-pyridinyl)piperazino]-1,1,1-trifluoro-2-propanol
CID 2738581
4-(2-Hydroxyethylamino)-pyridine
CID 17750368
5-Chloro-2-(trifluoromethyl)pyridin-4-amine
CID 72212296
3-chloro-N-(piperidin-4-yl)pyridin-4-amine
CID 79841403
2-{[(2-Chloropyridin-3-yl)methyl]amino}ethan-1-ol
CID 82669316
1,1,1-Trifluoro-3-{[2-(2-pyridinyl)ethyl]amino}-2-propanol
CID 3732706
3-chloro-N-(3-morpholinopropyl)pyridin-4-amine
CID 79839380
[3-[(2-Chloro-5-fluoro-4-pyridinyl)amino]-6-methoxycyclohexa-2,4-dien-1-ylidene]methanol
CID 87138211
2-[[[2-Chloro-5-(trifluoromethyl)-4-pyridinyl]amino]methyl]morpholine-4-carboxylic acid
CID 89907213
2-chloro-N-(morpholin-2-ylmethyl)-5-(trifluoromethyl)pyridin-4-amine
CID 89907421

Frequently Asked Questions

What is the IUPAC name of 3-[(3-chloro-4-pyridinyl)amino]-1,1,1-trifluoropropan-2-ol?
The IUPAC name of 3-[(3-chloro-4-pyridinyl)amino]-1,1,1-trifluoropropan-2-ol (CID 103736429) is 3-[(3-chloro-4-pyridinyl)amino]-1,1,1-trifluoropropan-2-ol.
What is the SMILES notation for 3-[(3-chloro-4-pyridinyl)amino]-1,1,1-trifluoropropan-2-ol?
The canonical SMILES for 3-[(3-chloro-4-pyridinyl)amino]-1,1,1-trifluoropropan-2-ol is OC(CNc1ccncc1Cl)C(F)(F)F.
What is the InChIKey of 3-[(3-chloro-4-pyridinyl)amino]-1,1,1-trifluoropropan-2-ol?
The InChIKey is PBZIFGAFUKBISB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClF3N2O/c9-5-3-13-2-1-6(5)14-4-7(15)8(10,11)12/h1-3,7,15H,4H2,(H,13,14).
What are the key properties of 3-[(3-chloro-4-pyridinyl)amino]-1,1,1-trifluoropropan-2-ol?
3-[(3-chloro-4-pyridinyl)amino]-1,1,1-trifluoropropan-2-ol has a molecular weight of 240.61 g/mol, XLogP of 2.07, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-chloro-4-pyridinyl)amino]-1,1,1-trifluoropropan-2-ol is sourced from PubChem (CID 103736429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).